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

Systemtic Name: 3-methyl-2-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoylamino]butanoic acid Openeye Name: 3-methyl-2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]butanoic acid CAS Name: 3-methyl-2-[[2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]butanoic acid Traditional Name: 3-methyl-2-[2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]propanoylamino]butyric acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-10(2)17(21(28)29)25-19(26)12(4)23-20(27)16-9-14-13-7-5-6-8-15(13)24-18(14)11(3)22-16/h5-10,12,17,24H,1-4H3,(H,23,27)(H,25,26)(H,28,29)