Molecule FYI-1001051

A

Molecule Summary:

ID: FYI-1001051
SMILES: CC(=O)N[C@H]1CNC(=O)/C=C/[C@@H](NC(=O)[C@H](NC(=O)C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)CCCN=C(N)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O

Received at FYIcenter.com on: 2021-11-13

Molecule ID: FYI-1001051 Edit

Molecule Structure SMILES String: CC(=O)N[C@H]1CNC(=O)/C=C/[C@@H](NC(=O)[C@H](NC(=O)C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)CCCN=C(N)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001051
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
   11.3098    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4638    1.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7459    1.9538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3357    2.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4899    3.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8876    3.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1847    4.2161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2404    5.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3212    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9404    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2088    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0166    9.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3845   10.3578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3810   11.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1787   12.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1148   11.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7234   12.0856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3573   11.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8304   13.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1646   11.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2451   12.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7837    8.6545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7452    7.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3583    7.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1631    5.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8339    5.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8416    4.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1755    3.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9921    4.7908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1426    3.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5451    2.7269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.9656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4958   13.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5195   14.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9005   15.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9243   16.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5671   16.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1862   14.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1624   13.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3527    9.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6589   10.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9951   11.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3012   12.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2711   13.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9350   13.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6289   11.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5773   14.9910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  6  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 26 30  1  1  0  0  0
 31 30  1  0  0  0  0
 31  5  1  0  0  0  0
 32 31  2  0  0  0  0
 22 33  1  1  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 16 40  1  6  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 46 41  1  0  0  0  0
 12 47  1  1  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 50 49  1  0  0  0  0
 51 50  2  0  0  0  0
 52 51  1  0  0  0  0
 53 52  2  0  0  0  0
 53 48  1  0  0  0  0
 54 51  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001051-3D
FYIcenter.com

101104  0  0  1  0  0  0  0  0999 V2000
    7.2020   -0.5382    1.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2965   -1.8469    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7511   -2.8453    0.7237 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7365   -1.7879   -1.0329 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3191   -2.9197   -2.1227 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7691   -3.3358   -3.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8486   -4.2210   -4.1164 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5204   -4.1782   -5.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5241   -4.8339   -5.5670 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9471   -3.2283   -6.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760   -2.3228   -7.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2122   -0.8958   -7.3371 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9916   -0.6440   -6.5405 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9547    0.1250   -5.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2059    1.1015   -5.4712 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6465   -0.2706   -4.0218 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2666    0.7084   -2.9878 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    0.7472   -2.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9757    1.4305   -1.2489 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467   -0.2076   -2.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7807   -0.6559   -3.7380 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7462   -0.5798   -1.4258 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6170   -0.6287   -2.3486 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3337   -1.6680   -3.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4070   -1.4455   -3.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1580   -3.1030   -3.2701 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8937   -4.0401   -3.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2509   -5.4014   -2.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378   -5.3987   -2.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0804   -4.0358   -2.4025 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3540   -4.0111   -1.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7313   -4.9233   -1.0512 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342   -1.7994   -0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1186   -2.5147    0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4086   -1.5999    1.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2025   -1.3453    2.4895 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0953   -1.9912    3.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8610   -2.9281    4.1683 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9620   -1.7709    4.3086 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1218   -0.8319   -4.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7702   -1.4727   -2.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6464   -2.5818   -2.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3057   -3.1258   -1.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1178   -2.5649   -0.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3025   -1.4514   -0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6461   -0.9110   -1.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1407    0.3413   -7.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3381    0.4914   -8.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2771    1.3500   -9.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3988    1.5374   -9.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5817    0.8850   -9.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6660    0.0611   -8.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5431   -0.1341   -7.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7008    1.0392  -10.3637 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1630   -0.2581    1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6012   -0.7102    2.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7650    0.3502    0.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671   -1.0470   -0.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5765   -2.2431   -2.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7346   -2.5111   -4.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9074   -3.8857   -4.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7511   -5.1936   -3.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8838   -3.0817   -6.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5805   -2.6602   -7.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9071   -0.8945   -8.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2762   -0.2789   -7.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0649   -1.0690   -3.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    1.3577   -2.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6466    0.3248   -0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140    0.1807   -2.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6501   -3.0649   -4.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087   -4.1022   -4.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0811   -3.6486   -2.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8561   -6.2266   -3.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8695   -5.4953   -1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1713   -5.6037   -3.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -6.1430   -2.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230   -1.4531    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9012   -2.6235   -1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0455   -2.9353    0.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5494   -3.3901    0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7193   -0.6404    1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2162   -2.0388    2.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7897   -3.0231    3.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8852   -2.8211    5.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3204   -1.2555    3.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430   -2.6439    4.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8272   -0.0576   -4.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1733   -1.6052   -4.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386   -3.0514   -3.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9613   -3.9867   -1.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5886   -2.9966    0.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1329   -1.0252    0.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0077   -0.0528   -1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219    1.2425   -7.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4860    0.4526   -6.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3633    1.8941   -9.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3300    2.1995  -10.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6069   -0.4187   -8.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6234   -0.7556   -6.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4864    1.6290  -11.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 55  1  0  0  0  0
  1 56  1  0  0  0  0
  1 57  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 58  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5  4  1  0  0  0  0
  5 59  1  6  0  0  0
  6  7  1  0  0  0  0
  6 60  1  0  0  0  0
  6 61  1  0  0  0  0
  7  8  1  0  0  0  0
  7 62  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 64  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 65  1  6  0  0  0
 13 14  1  0  0  0  0
 13 66  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 67  1  1  0  0  0
 17 18  1  0  0  0  0
 17 68  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 22 69  1  1  0  0  0
 23 24  1  0  0  0  0
 23 70  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 26 71  1  6  0  0  0
 27 28  1  0  0  0  0
 27 72  1  0  0  0  0
 27 73  1  0  0  0  0
 28 29  1  0  0  0  0
 28 74  1  0  0  0  0
 28 75  1  0  0  0  0
 29 30  1  0  0  0  0
 29 76  1  0  0  0  0
 29 77  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
 33 78  1  0  0  0  0
 33 79  1  0  0  0  0
 34 35  1  0  0  0  0
 34 80  1  0  0  0  0
 34 81  1  0  0  0  0
 35 36  1  0  0  0  0
 35 82  1  0  0  0  0
 35 83  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 84  1  0  0  0  0
 38 85  1  0  0  0  0
 39 86  1  0  0  0  0
 39 87  1  0  0  0  0
 40 41  1  0  0  0  0
 40 88  1  0  0  0  0
 40 89  1  0  0  0  0
 41 42  2  0  0  0  0
 41 46  1  0  0  0  0
 42 43  1  0  0  0  0
 42 90  1  0  0  0  0
 43 44  2  0  0  0  0
 43 91  1  0  0  0  0
 44 45  1  0  0  0  0
 44 92  1  0  0  0  0
 45 46  2  0  0  0  0
 45 93  1  0  0  0  0
 46 94  1  0  0  0  0
 47 48  1  0  0  0  0
 47 95  1  0  0  0  0
 47 96  1  0  0  0  0
 48 49  2  0  0  0  0
 48 53  1  0  0  0  0
 49 50  1  0  0  0  0
 49 97  1  0  0  0  0
 50 51  2  0  0  0  0
 50 98  1  0  0  0  0
 51 52  1  0  0  0  0
 51 54  1  0  0  0  0
 52 53  2  0  0  0  0
 52 99  1  0  0  0  0
 53100  1  0  0  0  0
 54101  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 2242👍, 0💬