Molecule ID: 102571756

IUPAC Name: N-[(2S)-1-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

Description: The molecule is a dipeptide amide obtained by formal condensation of the carboxy group of N-benzoyl-L-valylglycine with the amino group of 4-methoxy-2-naphthylamine. It has a role as a chromogenic compound. It is a member of naphthalenes, a dipeptide, an aromatic ether and a member of benzamides.

SMILES: COc1cc(N=C(O)CN=C(O)[C@@H](N=C(O)c2ccccc2)C(C)C)cc2ccccc12

SELFIES: [C][O][C][=C][C][Branch2][Ring1][P][N][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C@@H1][Branch1][=C][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][Ring2][Ring1][=C][Ring1][=Branch1]

InChI: InChI=1S/C25H27N3O4/c1-16(2)23(28-24(30)17-9-5-4-6-10-17)25(31)26-15-22(29)27-19-13-18-11-7-8-12-20(18)21(14-19)32-3/h4-14,16,23H,15H2,1-3H3,(H,26,31)(H,27,29)(H,28,30)/t23-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.5 Ų
- LogP: 4.0