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

Systemtic Name: 4-methylsulfanyl-2-[[2-[(3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl)carbonylamino]-3-phenyl-propanoyl]amino]butanoic acid Openeye Name: 2-[[2-[(2-isopropyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[[oxo-(3-oxo-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl)methyl]amino]-3-phenylpropyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]butanoic acid Traditional Name: 2-[[2-[(2-isopropyl-3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C26H32N4O5S MolecularWeight: 512.62108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=CC=CC=C2N1C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(C)C1C(=O)NC2=CC=CC=C2N1C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C26H32N4O5S/c1-16(2)22-24(32)27-18-11-7-8-12-21(18)30(22)26(35)29-20(15-17-9-5-4-6-10-17)23(31)28-19(25(33)34)13-14-36-3/h4-12,16,19-20,22H,13-15H2,1-3H3,(H,27,32)(H,28,31)(H,29,35)(H,33,34)