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

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)-3-(4-phenylphenyl)carbonyl-2-(propanoylamino)hexanoic acid Openeye Name: 2-amino-3-(1H-indol-3-yl)-3-(4-phenylbenzoyl)-2-(propanoylamino)hexanoic acid CAS Name: 2-amino-3-(1H-indol-3-yl)-3-[oxo-(4-phenylphenyl)methyl]-2-(1-oxopropylamino)hexanoic acid IUPAC Name: 2-amino-3-(1H-indol-3-yl)-3-(4-phenylbenzoyl)-2-(propanoylamino)hexanoic acid Traditional Name: 2-amino-3-(1H-indol-3-yl)-3-(4-phenylbenzoyl)-2-propionamido-hexanoic acid Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CNC2=CC=CC=C21)(C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(C(=O)O)(N)NC(=O)CC

Isomeric SMILES

CCCC(C1=CNC2=CC=CC=C21)(C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(C(=O)O)(N)NC(=O)CC

InChI

InChI=1S/C30H31N3O4/c1-3-18-29(30(31,28(36)37)33-26(34)4-2,24-19-32-25-13-9-8-12-23(24)25)27(35)22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-17,19,32H,3-4,18,31H2,1-2H3,(H,33,34)(H,36,37)