Molecule FYI-1002965

A

Molecule Summary:

ID: FYI-1002965
Names:
InChIKey: SIAZVTIHOHTZDD-UHFFFAOYSA-N
SMILES: NC(CNC(=O)CC(O)(CC(=O)NCCNC(=O)CCC(=O)C(=O)O)C(=O)O)C(=O)O

Received at FYIcenter.com on: 2023-05-01

Molecule ID: FYI-1002965 Edit

Molecule Structure InChIKey: SIAZVTIHOHTZDD-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(CNC(=O)CC(O)(CC(=O)NCCNC(=O)CCC(=O)C(=O)O)C(=O)O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002965
FYIcenter.com

 31 30  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  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  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  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  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 12  1  0  0  0  0
 27  1  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002965-3D
FYIcenter.com

 55 54  0  0  1  0  0  0  0  0999 V2000
   -1.1632    3.0251   -3.5519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968    3.7490   -2.3491 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0096    5.1082   -2.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4246    4.9838   -1.8504 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877    4.8661   -0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1437    4.7439    0.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982    4.8635   -0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0155    6.2574   -0.2047 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5494    6.9121    0.9903 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5575    6.2299   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1044    5.3698    0.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4465    5.1034    1.9471 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4020    4.9524    0.7636 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1018    4.1449    1.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7727    2.6479    1.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4819    1.8472    2.6390 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7697    1.4134    2.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3781    1.6077    1.3730 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3685    0.6396    3.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8925    0.7011    3.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3879    2.1168    3.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6909    3.1004    3.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8894    2.3305    3.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6889    1.4307    3.5010 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1900    3.6408    3.7759 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6157    7.1638   -1.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315    6.7972   -2.5386 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3837    8.4373   -0.9733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2097    3.9351   -2.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8895    4.8237   -2.0529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7262    2.9575   -3.3337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450    2.9935   -3.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2999    3.6288   -4.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8351    4.3703   -1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6092    4.2159    0.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6976    6.2836    1.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9433    7.2442   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9555    5.8822   -1.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9102    5.2155   -0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8403    4.5138    2.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741    4.3148    1.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0258    2.2802    0.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7032    2.4746    1.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0901    1.7831    3.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0450   -0.4038    3.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9870    1.0302    4.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2806    0.3120    2.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2964    0.0959    4.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3546    4.1513    3.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    8.4474    0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9693    2.3884   -3.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 53  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 840👍, 0💬