Molecule ID: 15982923

IUPAC Name: methyl 3-(4-chlorophenyl)-3-[[3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate

Description: The molecule is a carboxamide resulting from the formal condensation of the carboxylic acid group of N-(isopropoxycarbonyl)valine with the amino group of methyl 3-amino-3-(4-chlorophenyl)propanoate. It is a carbamate ester, a valine derivative, a carboxamide, a member of monochlorobenzenes and a methyl ester.

SMILES: COC(=O)CC(N=C(O)C(N=C(O)OC(C)C)C(C)C)c1ccc(Cl)cc1

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

InChI: InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)

Molecular Properties:
- Polar Surface Area: 93.7 Ų
- LogP: 3.4