(2S)-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-pyrrol-1-ylphenyl)propanoic acid

Systemtic Name: (2S)-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-pyrrol-1-ylphenyl)propanoic acid Openeye Name: (2S)-2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-pyrrol-1-ylphenyl)propanoic acid CAS Name: (2S)-2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-3-[4-(1-pyrrolyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-pyrrol-1-ylphenyl)propanoic acid Traditional Name: (2S)-2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-pyrrol-1-ylphenyl)propionic acid Formula: C23H24N2O3 MolecularWeight: 376.44826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)N3C=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)[C@@H](CC2=CC=C(C=C2)N3C=CC=C3)C(=O)O)C

InChI

InChI=1S/C23H24N2O3/c1-16-12-17(2)14-19(13-16)22(26)24(3)21(23(27)28)15-18-6-8-20(9-7-18)25-10-4-5-11-25/h4-14,21H,15H2,1-3H3,(H,27,28)/t21-/m0/s1