3-[[1-[3-methyl-2-[(3-phenylcinnolin-4-yl)carbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[3-methyl-2-[(3-phenylcinnolin-4-yl)carbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[3-methyl-2-[(3-phenylcinnoline-4-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[3-methyl-1-oxo-2-[[oxo-(3-phenyl-4-cinnolinyl)methyl]amino]butyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[3-methyl-2-[(3-phenylcinnoline-4-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[1-[3-methyl-2-[(3-phenylcinnoline-4-carbonyl)amino]butanoyl]prolyl]amino]butyric acid Formula: C29H31N5O6 MolecularWeight: 545.58634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=C(N=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=C(N=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C29H31N5O6/c1-17(2)25(29(40)34-14-8-13-22(34)27(38)30-19(16-35)15-23(36)37)31-28(39)24-20-11-6-7-12-21(20)32-33-26(24)18-9-4-3-5-10-18/h3-7,9-12,16-17,19,22,25H,8,13-15H2,1-2H3,(H,30,38)(H,31,39)(H,36,37)