1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylbutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]isonipecotic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(C(C)C)C(=O)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(C(C)C)C(=O)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C22H29N3O4/c1-13(2)19(21(27)25-9-7-15(8-10-25)22(28)29)23-20(26)18-12-16-11-14(3)5-6-17(16)24(18)4/h5-6,11-13,15,19H,7-10H2,1-4H3,(H,23,26)(H,28,29)