4-azanyl-2-[[1-(2-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[1-(2-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[1-(o-tolyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[1-(2-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[1-(o-tolyl)-9H-$b-carboline-3-carbonyl]amino]butyric acid Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NC(CC(=O)N)C(=O)O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NC(CC(=O)N)C(=O)O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H20N4O4/c1-12-6-2-3-7-13(12)20-21-15(14-8-4-5-9-16(14)25-21)10-17(26-20)22(29)27-18(23(30)31)11-19(24)28/h2-10,18,25H,11H2,1H3,(H2,24,28)(H,27,29)(H,30,31)