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

Systemtic Name: 1-[2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenyl-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenyl-butanoyl]isonipecotic acid Formula: C25H26ClN3O5 MolecularWeight: 483.94404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C(CCC2=CC=CC=C2)(NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)O

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C(CCC2=CC=CC=C2)(NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)O

InChI

InChI=1S/C25H26ClN3O5/c26-19-6-7-20-18(14-19)15-21(27-20)22(30)28-25(34,11-8-16-4-2-1-3-5-16)24(33)29-12-9-17(10-13-29)23(31)32/h1-7,14-15,17,27,34H,8-13H2,(H,28,30)(H,31,32)