Molecule ID: 102571755

IUPAC Name: (4S)-4-amino-5-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Description: The molecule is an N-(2-naphthyl)carboxamide obtained by formal condensation of the C-terminal carboxy group of L-glutamylglycyl-L-arginine 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: N=C(N)NCCC[C@H](N=C(O)CN=C(O)[C@@H](N)CCC(=O)O)C(O)=Nc1ccc2ccccc2c1

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

InChI: InChI=1S/C23H31N7O5/c24-17(9-10-20(32)33)21(34)28-13-19(31)30-18(6-3-11-27-23(25)26)22(35)29-16-8-7-14-4-1-2-5-15(14)12-16/h1-2,4-5,7-8,12,17-18H,3,6,9-11,13,24H2,(H,28,34)(H,29,35)(H,30,31)(H,32,33)(H4,25,26,27)/t17-,18-/m0/s1

Molecular Properties:
- Polar Surface Area: 215.0 Ų
- LogP: -3.1