3-methyl-2-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]pentanoic acid CAS Name: 3-methyl-2-[[2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]pentanoic acid Traditional Name: 3-methyl-2-[2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]propanoylamino]valeric acid Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C

InChI

InChI=1S/C22H26N4O4/c1-5-11(2)18(22(29)30)26-20(27)13(4)24-21(28)17-10-15-14-8-6-7-9-16(14)25-19(15)12(3)23-17/h6-11,13,18,25H,5H2,1-4H3,(H,24,28)(H,26,27)(H,29,30)