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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(C(C1NC(=O)C(C)(C)N)C2=CNC3=CC=CC=C32)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(=O)N1CCC(C(C1NC(=O)C(C)(C)N)C2=CNC3=CC=CC=C32)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H32N4O4/c1-4-21(32)31-15-14-27(25(34)35,17-10-6-5-7-11-17)22(23(31)30-24(33)26(2,3)28)19-16-29-20-13-9-8-12-18(19)20/h5-13,16,22-23,29H,4,14-15,28H2,1-3H3,(H,30,33)(H,34,35)