1-[2-oxidanyl-2-oxidanylidene-1-[5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-1H-indol-3-yl]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-oxidanyl-2-oxidanylidene-1-[5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-1H-indol-3-yl]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-hydroxy-1-[5-[(4-hydroxy-4-oxo-butanoyl)amino]-1H-indol-3-yl]-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-hydroxy-1-[5-[(4-hydroxy-1,4-dioxobutyl)amino]-1H-indol-3-yl]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-1-[5-[(4-hydroxy-4-oxobutanoyl)amino]-1H-indol-3-yl]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-hydroxy-1-[5-[(4-hydroxy-4-keto-butanoyl)amino]-1H-indol-3-yl]-2-keto-ethyl]nipecotic acid Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H23N3O7/c24-16(5-6-17(25)26)22-12-3-4-15-13(8-12)14(9-21-15)18(20(29)30)23-7-1-2-11(10-23)19(27)28/h3-4,8-9,11,18,21H,1-2,5-7,10H2,(H,22,24)(H,25,26)(H,27,28)(H,29,30)