Molecule ID: 92136199

IUPAC Name: (2R)-2-amino-3-[[(2R)-2-amino-3-(naphthalen-2-ylamino)-3-oxopropyl]disulfanyl]propanoic acid

Description: The molecule is an L-cysteine derivative that is the amide obtained by formal condensation of one of the carboxy groups of L-cystine with the amino group of 2-naphthylamine. It is a N-(2-naphthyl)carboxamide, a L-cysteine derivative, an amino acid amide, a dicarboxylic acid monoamide and an organic disulfide. It derives from a L-cystine.

SMILES: N[C@@H](CSSC[C@H](N)C(O)=Nc1ccc2ccccc2c1)C(=O)O

SELFIES: [N][C@@H1][Branch2][Ring1][N][C][S][S][C][C@H1][Branch1][C][N][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C16H19N3O3S2/c17-13(8-23-24-9-14(18)16(21)22)15(20)19-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14H,8-9,17-18H2,(H,19,20)(H,21,22)/t13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: -1.4