1-[(2S)-3-methyl-2-(9H-pyrido[3,4-b]indol-3-ylcarbonylamino)pentanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2S)-3-methyl-2-(9H-pyrido[3,4-b]indol-3-ylcarbonylamino)pentanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-3-methyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)pentanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-3-methyl-1-oxo-2-[[oxo(9H-pyrido[3,4-b]indol-3-yl)methyl]amino]pentyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-3-methyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)pentanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-(9H-$b-carboline-3-carbonylamino)-3-methyl-pentanoyl]isonipecotic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

InChI

InChI=1S/C24H28N4O4/c1-3-14(2)21(23(30)28-10-8-15(9-11-28)24(31)32)27-22(29)19-12-17-16-6-4-5-7-18(16)26-20(17)13-25-19/h4-7,12-15,21,26H,3,8-11H2,1-2H3,(H,27,29)(H,31,32)/t14?,21-/m0/s1