1-[(2S)-2-[(5-methoxy-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2S)-2-[(5-methoxy-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-2-[(5-methoxy-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-2-[[(5-methoxy-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-[(5-methoxy-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]isonipecotic acid Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)OC

InChI

InChI=1S/C22H29N3O5/c1-13(2)19(21(27)25-9-7-14(8-10-25)22(28)29)23-20(26)18-12-15-11-16(30-4)5-6-17(15)24(18)3/h5-6,11-14,19H,7-10H2,1-4H3,(H,23,26)(H,28,29)/t19-/m0/s1