4-[[2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-methyl-amino]piperidine-1-carboxylic acid

Systemtic Name: 4-[[2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-methyl-amino]piperidine-1-carboxylic acid Openeye Name: 4-[[2-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenyl-butanoyl]-methyl-amino]piperidine-1-carboxylic acid CAS Name: 4-[[2-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-methylamino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoyl]-methylamino]piperidine-1-carboxylic acid Traditional Name: 4-[[2-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenyl-butanoyl]-methyl-amino]piperidine-1-carboxylic acid Formula: C26H29ClN4O5 MolecularWeight: 512.98526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C(=O)O)C(=O)C(CCC2=CC=CC=C2)(NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)O

Isomeric SMILES

CN(C1CCN(CC1)C(=O)O)C(=O)C(CCC2=CC=CC=C2)(NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)O

InChI

InChI=1S/C26H29ClN4O5/c1-30(20-10-13-31(14-11-20)25(34)35)24(33)26(36,12-9-17-5-3-2-4-6-17)29-23(32)22-16-18-15-19(27)7-8-21(18)28-22/h2-8,15-16,20,28,36H,9-14H2,1H3,(H,29,32)(H,34,35)