3-azanyl-3-(1H-indol-3-yl)-2-methyl-4-(4-phenylphenyl)carbonyl-2-(propanoylamino)hexanoic acid

Systemtic Name: 3-azanyl-3-(1H-indol-3-yl)-2-methyl-4-(4-phenylphenyl)carbonyl-2-(propanoylamino)hexanoic acid Openeye Name: 3-amino-3-(1H-indol-3-yl)-2-methyl-4-(4-phenylbenzoyl)-2-(propanoylamino)hexanoic acid CAS Name: 3-amino-3-(1H-indol-3-yl)-2-methyl-4-[oxo-(4-phenylphenyl)methyl]-2-(1-oxopropylamino)hexanoic acid IUPAC Name: 3-amino-3-(1H-indol-3-yl)-2-methyl-4-(4-phenylbenzoyl)-2-(propanoylamino)hexanoic acid Traditional Name: 3-amino-3-(1H-indol-3-yl)-2-methyl-4-(4-phenylbenzoyl)-2-propionamido-hexanoic acid Formula: C31H33N3O4 MolecularWeight: 511.61142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C(C3=CNC4=CC=CC=C43)(C(C)(C(=O)O)NC(=O)CC)N

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C(C3=CNC4=CC=CC=C43)(C(C)(C(=O)O)NC(=O)CC)N

InChI

InChI=1S/C31H33N3O4/c1-4-24(28(36)22-17-15-21(16-18-22)20-11-7-6-8-12-20)31(32,30(3,29(37)38)34-27(35)5-2)25-19-33-26-14-10-9-13-23(25)26/h6-19,24,33H,4-5,32H2,1-3H3,(H,34,35)(H,37,38)