5-azanyl-2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]valeric acid Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4/c1-9-16-11(10-4-2-3-5-12(10)21-16)8-14(20-9)17(24)22-13(18(25)26)6-7-15(19)23/h2-5,8,13,21H,6-7H2,1H3,(H2,19,23)(H,22,24)(H,25,26)