Molecule FYI-1007991

A

Molecule Summary:

ID: FYI-1007991
Names:
InChIKey: VPSHHQXIWLGVDD-ZLUOBGJFSA-K
SMILES: [NH3+][C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]

Received at FYIcenter.com on: 2024-03-24

Molecule ID: FYI-1007991 Edit

Molecule Structure InChIKey: VPSHHQXIWLGVDD-ZLUOBGJFSA-K

Molecule Structure SMILES String: [NH3+][C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007991
FYIcenter.com

 25 24  0  0  1  0  0  0  0  0999 V2000
   10.9119    5.6000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  1  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007991-3D
FYIcenter.com

 39 38  0  0  1  0  0  0  0  0999 V2000
    3.9319   -0.3895    1.0181 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7572    0.1049    0.2147 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4799   -0.0268    1.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2481   -1.4578    1.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3268   -2.1091    1.6826 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597   -1.8176    1.6272 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9557    1.5693   -0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069    2.3013   -0.4955 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2728    1.9708   -0.2520 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7507    3.3702   -0.4160 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1882    4.2833    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108    5.7307    0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7303    6.1166   -0.7373 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7052    6.4007    1.5273 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2743    3.2335   -0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    2.4928    0.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0630    3.9259   -1.0567 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5397    3.8987   -1.1256 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1983    2.5454   -0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875    1.3278   -1.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719    0.9772   -1.8353 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9074    0.6751   -2.1101 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.1382    4.5543   -2.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972    4.9059   -3.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3904    4.7739   -2.4178 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6216   -1.2995    1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1723    0.2655    1.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7664   -0.5579    0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7121   -0.5315   -0.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    0.3095    0.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300    0.6057    1.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0192    1.3162   -0.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5213    3.6765   -1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183    3.9471    1.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0959    4.2696    0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6392    4.6448   -1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8455    4.5817   -0.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9755    2.2421    0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2880    2.6909   -0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 29  1  6  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 33  1  6  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 37  1  1  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
$$$$

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2024-04-14, 145👍, 0💬