2-[2-azanyl-3-(1H-indol-3-yl)-2-methyl-3-(propanoylamino)propanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 2-[2-azanyl-3-(1H-indol-3-yl)-2-methyl-3-(propanoylamino)propanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 2-[2-amino-3-(1H-indol-3-yl)-2-methyl-3-(propanoylamino)propanoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 2-[2-amino-3-(1H-indol-3-yl)-2-methyl-1-oxo-3-(1-oxopropylamino)propyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 2-[2-amino-3-(1H-indol-3-yl)-2-methyl-3-(propanoylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 2-[2-amino-3-(1H-indol-3-yl)-2-methyl-3-propionamido-propanoyl]-4-phenyl-isonipecotic acid Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C1=CNC2=CC=CC=C21)C(C)(C(=O)C3CC(CCN3)(C4=CC=CC=C4)C(=O)O)N

Isomeric SMILES

CCC(=O)NC(C1=CNC2=CC=CC=C21)C(C)(C(=O)C3CC(CCN3)(C4=CC=CC=C4)C(=O)O)N

InChI

InChI=1S/C27H32N4O4/c1-3-22(32)31-23(19-16-30-20-12-8-7-11-18(19)20)26(2,28)24(33)21-15-27(25(34)35,13-14-29-21)17-9-5-4-6-10-17/h4-12,16,21,23,29-30H,3,13-15,28H2,1-2H3,(H,31,32)(H,34,35)