2-azanyl-1-butanoyl-3-[(5-chloranyl-1H-indol-2-yl)carbonyl]-2-oxidanyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 2-azanyl-1-butanoyl-3-[(5-chloranyl-1H-indol-2-yl)carbonyl]-2-oxidanyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 2-amino-1-butanoyl-3-(5-chloro-1H-indole-2-carbonyl)-2-hydroxy-4-phenyl-piperidine-4-carboxylic acid CAS Name: 2-amino-3-[(5-chloro-1H-indol-2-yl)-oxomethyl]-2-hydroxy-1-(1-oxobutyl)-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 2-amino-1-butanoyl-3-(5-chloro-1H-indole-2-carbonyl)-2-hydroxy-4-phenylpiperidine-4-carboxylic acid Traditional Name: 2-amino-1-butyryl-3-(5-chloro-1H-indole-2-carbonyl)-2-hydroxy-4-phenyl-isonipecotic acid Formula: C25H26ClN3O5 MolecularWeight: 483.94404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(C(C1(N)O)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC(=O)N1CCC(C(C1(N)O)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H26ClN3O5/c1-2-6-20(30)29-12-11-24(23(32)33,16-7-4-3-5-8-16)22(25(29,27)34)21(31)19-14-15-13-17(26)9-10-18(15)28-19/h3-5,7-10,13-14,22,28,34H,2,6,11-12,27H2,1H3,(H,32,33)