2-[[3-(4-aminophenyl)-2-[(8-oxidanyl-4-oxidanylidene-1H-quinolin-2-yl)carbonylamino]propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[[3-(4-aminophenyl)-2-[(8-oxidanyl-4-oxidanylidene-1H-quinolin-2-yl)carbonylamino]propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[[3-(4-aminophenyl)-2-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[3-(4-aminophenyl)-2-[[(8-hydroxy-4-oxo-1H-quinolin-2-yl)-oxomethyl]amino]-1-oxopropyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[[3-(4-aminophenyl)-2-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]propanoyl]amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[[3-(4-aminophenyl)-2-[(8-hydroxy-4-keto-1H-quinoline-2-carbonyl)amino]propanoyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)N)NC(=O)C2=CC(=O)C3=C(N2)C(=CC=C3)O)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)N)NC(=O)C2=CC(=O)C3=C(N2)C(=CC=C3)O)S

InChI

InChI=1S/C24H26N4O6S/c1-24(2,35)20(23(33)34)28-22(32)15(10-12-6-8-13(25)9-7-12)27-21(31)16-11-18(30)14-4-3-5-17(29)19(14)26-16/h3-9,11,15,20,29,35H,10,25H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)(H,33,34)