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

Systemtic Name: 2-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]propanoylamino]-3-phenyl-propionic acid Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4N2

InChI

InChI=1S/C25H24N4O4/c1-14-22-18(17-10-6-7-11-19(17)28-22)13-20(26-14)24(31)27-15(2)23(30)29-21(25(32)33)12-16-8-4-3-5-9-16/h3-11,13,15,21,28H,12H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)