2-[[3-methyl-2-[(3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl)carbonylamino]butanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3-methyl-2-[(3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl)carbonylamino]butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[(2-isopropyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-methyl-1-oxo-2-[[oxo-(3-oxo-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl)methyl]amino]butyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[(2-isopropyl-3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-methyl-butanoyl]amino]-4-(methylthio)butyric acid Formula: C22H32N4O5S MolecularWeight: 464.57828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=CC=CC=C2N1C(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(C)C1C(=O)NC2=CC=CC=C2N1C(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C22H32N4O5S/c1-12(2)17(19(27)24-15(21(29)30)10-11-32-5)25-22(31)26-16-9-7-6-8-14(16)23-20(28)18(26)13(3)4/h6-9,12-13,15,17-18H,10-11H2,1-5H3,(H,23,28)(H,24,27)(H,25,31)(H,29,30)