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

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[(1-phenethyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[(1-phenethyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[oxo-(1-phenethyl-9H-pyrido[3,4-b]indol-3-yl)methyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[(1-phenethyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]butanoic acid Traditional Name: 4-amino-4-keto-2-[(1-phenethyl-9H-$b-carboline-3-carbonyl)amino]butyric acid Formula: C24H22N4O4 MolecularWeight: 430.45588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C3C(=CC(=N2)C(=O)NC(CC(=O)N)C(=O)O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C3C(=CC(=N2)C(=O)NC(CC(=O)N)C(=O)O)C4=CC=CC=C4N3

InChI

InChI=1S/C24H22N4O4/c25-21(29)13-20(24(31)32)28-23(30)19-12-16-15-8-4-5-9-17(15)27-22(16)18(26-19)11-10-14-6-2-1-3-7-14/h1-9,12,20,27H,10-11,13H2,(H2,25,29)(H,28,30)(H,31,32)