Molecule FYI-1014479

A

Molecule Summary:

ID: FYI-1014479
Names:
InChIKey: WYBVBIHNJWOLCJ-IUCAKERBSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

Received at FYIcenter.com on: 2025-04-21

Molecule ID: FYI-1014479 Edit

Molecule Structure InChIKey: WYBVBIHNJWOLCJ-IUCAKERBSA-N

Molecule Structure SMILES String: CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014479
FYIcenter.com

 20 19  0  0  1  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 20  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  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  2  0  0  0  0
 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  1  0  0  0
 15 20  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 17  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014479-3D
FYIcenter.com

 45 44  0     1  0  0  0  0  0999 V2000
   -0.2944    0.2074    1.6351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0041   -2.1312   -1.4239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3699   -2.5317    0.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6430   -0.2063   -0.2053 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1906    2.1839   -0.7597 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8575    0.0086   -0.4074 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7052   -0.7601    0.9211 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0097    0.8194   -0.6935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7181    0.3669    1.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1739    1.4193   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7609   -0.7361    0.5384 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5431    0.7761   -0.5657 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9824    0.6585   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.2282    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0722    2.5090    0.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9060    0.7135   -1.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5413   -0.7612   -0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4744   -1.8698   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641   -0.8944    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1063    0.0000   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2152    0.9148    1.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6044   -0.0909    1.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2892    1.9186   -0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3415   -1.2158    1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4543    0.2558   -1.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470    0.9601    1.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6231    1.3498   -0.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7272   -0.1313   -1.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8983   -1.4770    0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251   -1.0316   -1.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3393    3.2479   -0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5604    3.0358    1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9978    2.0849    0.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2177    0.1372   -1.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3743    1.4477   -1.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6966    0.0519   -0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689   -0.6601    1.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867   -1.9345    0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313    2.2490   -1.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8399    2.6116   -1.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4749   -2.8825   -1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6993   -0.6831    1.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1847   -1.4202    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9904    0.8285   -0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183    1.4410   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 18  1  0  0  0  0
  2 41  1  0  0  0  0
  3 18  2  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 28  1  0  0  0  0
  5 12  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  2  0  0  0  0
  7 20  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8 20  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 23  1  0  0  0  0
 11 18  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
$$$$

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2025-04-26, 946👍, 0💬