Molecule ID: 92489511

IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide

Description: The molecule is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-alanyl-L-phenylalanyl-L-proline with the amino group of 2-naphthylamine. It has a role as a chromogenic compound. It is a N-(2-naphthyl)carboxamide and a tripeptide.

SMILES: C[C@H](N)C(O)=N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=Nc1ccc2ccccc2c1

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

InChI: InChI=1S/C27H30N4O3/c1-18(28)25(32)30-23(16-19-8-3-2-4-9-19)27(34)31-15-7-12-24(31)26(33)29-22-14-13-20-10-5-6-11-21(20)17-22/h2-6,8-11,13-14,17-18,23-24H,7,12,15-16,28H2,1H3,(H,29,33)(H,30,32)/t18-,23-,24-/m0/s1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 3.2