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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O)N

Isomeric SMILES

CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O)N

InChI

InChI=1S/C27H32N4O4/c1-26(2,28)24(33)30-22(16-18-17-29-21-11-7-6-10-20(18)21)23(32)31-14-12-27(13-15-31,25(34)35)19-8-4-3-5-9-19/h3-11,17,22,29H,12-16,28H2,1-2H3,(H,30,33)(H,34,35)