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

Systemtic Name: 1-[1-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-hydroxy-1-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-hydroxy-1-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-1-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-hydroxy-1-[5-(isobutyrylamino)-1H-indol-3-yl]-2-keto-ethyl]isonipecotic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H25N3O5/c1-11(2)18(24)22-13-3-4-16-14(9-13)15(10-21-16)17(20(27)28)23-7-5-12(6-8-23)19(25)26/h3-4,9-12,17,21H,5-8H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)