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

Systemtic Name: 1-[(2S)-2-[(5-methoxy-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-2-[(5-methoxy-1-methyl-indole-2-carbonyl)amino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-2-[[(5-methoxy-1-methyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-[(5-methoxy-1-methyl-indole-2-carbonyl)amino]-4-(methylthio)butanoyl]isonipecotic acid Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C=C1C(=O)NC(CCSC)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C=C1C(=O)N[C@@H](CCSC)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H29N3O5S/c1-24-18-5-4-16(30-2)12-15(18)13-19(24)20(26)23-17(8-11-31-3)21(27)25-9-6-14(7-10-25)22(28)29/h4-5,12-14,17H,6-11H2,1-3H3,(H,23,26)(H,28,29)/t17-/m0/s1