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

Systemtic Name: 2-[[3-methyl-2-[(3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl)carbonylamino]pentanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[(2-isopropyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-methyl-pentanoyl]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]pentyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[(2-isopropyl-3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-methyl-pentanoyl]amino]-4-(methylthio)butyric acid Formula: C23H34N4O5S MolecularWeight: 478.60486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCSC)C(=O)O)NC(=O)N1C(C(=O)NC2=CC=CC=C21)C(C)C

Isomeric SMILES

CCC(C)C(C(=O)NC(CCSC)C(=O)O)NC(=O)N1C(C(=O)NC2=CC=CC=C21)C(C)C

InChI

InChI=1S/C23H34N4O5S/c1-6-14(4)18(20(28)25-16(22(30)31)11-12-33-5)26-23(32)27-17-10-8-7-9-15(17)24-21(29)19(27)13(2)3/h7-10,13-14,16,18-19H,6,11-12H2,1-5H3,(H,24,29)(H,25,28)(H,26,32)(H,30,31)