4-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-2-(1H-indol-3-ylmethyl)-5-phenyl-pentanoic acid

Systemtic Name: 4-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-2-(1H-indol-3-ylmethyl)-5-phenyl-pentanoic acid Openeye Name: 4-[(3,5-dimethylbenzoyl)-methyl-amino]-2-(1H-indol-3-ylmethyl)-5-phenyl-pentanoic acid CAS Name: 4-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-2-(1H-indol-3-ylmethyl)-5-phenylpentanoic acid IUPAC Name: 4-[(3,5-dimethylbenzoyl)-methylamino]-2-(1H-indol-3-ylmethyl)-5-phenylpentanoic acid Traditional Name: 4-[(3,5-dimethylbenzoyl)-methyl-amino]-2-(1H-indol-3-ylmethyl)-5-phenyl-valeric acid Formula: C30H32N2O3 MolecularWeight: 468.58668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=CC=C2)CC(CC3=CNC4=CC=CC=C43)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=CC=C2)CC(CC3=CNC4=CC=CC=C43)C(=O)O)C

InChI

InChI=1S/C30H32N2O3/c1-20-13-21(2)15-23(14-20)29(33)32(3)26(16-22-9-5-4-6-10-22)18-24(30(34)35)17-25-19-31-28-12-8-7-11-27(25)28/h4-15,19,24,26,31H,16-18H2,1-3H3,(H,34,35)