1-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]propanoyl]isonipecotic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)N3CCC(CC3)C(=O)O)C4=CC=CC=C4N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)N3CCC(CC3)C(=O)O)C4=CC=CC=C4N2

InChI

InChI=1S/C22H24N4O4/c1-12-19-16(15-5-3-4-6-17(15)25-19)11-18(23-12)20(27)24-13(2)21(28)26-9-7-14(8-10-26)22(29)30/h3-6,11,13-14,25H,7-10H2,1-2H3,(H,24,27)(H,29,30)