1-[2-oxidanyl-2-oxidanylidene-1-[6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-1H-indol-3-yl]ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-oxidanyl-2-oxidanylidene-1-[6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-1H-indol-3-yl]ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-hydroxy-1-[6-[(4-hydroxy-4-oxo-butanoyl)amino]-1H-indol-3-yl]-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-hydroxy-1-[6-[(4-hydroxy-1,4-dioxobutyl)amino]-1H-indol-3-yl]-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-1-[6-[(4-hydroxy-4-oxobutanoyl)amino]-1H-indol-3-yl]-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-hydroxy-1-[6-[(4-hydroxy-4-keto-butanoyl)amino]-1H-indol-3-yl]-2-keto-ethyl]isonipecotic acid Formula: C20H23N3O7 MolecularWeight: 417.41252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H23N3O7/c24-16(3-4-17(25)26)22-12-1-2-13-14(10-21-15(13)9-12)18(20(29)30)23-7-5-11(6-8-23)19(27)28/h1-2,9-11,18,21H,3-8H2,(H,22,24)(H,25,26)(H,27,28)(H,29,30)