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

Systemtic Name: 2-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]butanoic acid CAS Name: 3-hydroxy-2-[[2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]butanoic acid Traditional Name: 3-hydroxy-2-[2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]propanoylamino]butyric acid Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H22N4O5/c1-9-16-13(12-6-4-5-7-14(12)23-16)8-15(21-9)19(27)22-10(2)18(26)24-17(11(3)25)20(28)29/h4-8,10-11,17,23,25H,1-3H3,(H,22,27)(H,24,26)(H,28,29)