(2R)-2-[[4-[(4-methoxy-4-oxidanylidene-butanoyl)amino]phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[[4-[(4-methoxy-4-oxidanylidene-butanoyl)amino]phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[4-[(4-methoxy-4-oxo-butanoyl)amino]phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[4-[(4-methoxy-1,4-dioxobutyl)amino]phenyl]sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[4-[(4-keto-4-methoxy-butanoyl)amino]phenyl]sulfonylamino]-4-(methylthio)butyric acid Formula: C16H22N2O7S2 MolecularWeight: 418.48508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)O

Isomeric SMILES

COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N[C@H](CCSC)C(=O)O

InChI

InChI=1S/C16H22N2O7S2/c1-25-15(20)8-7-14(19)17-11-3-5-12(6-4-11)27(23,24)18-13(16(21)22)9-10-26-2/h3-6,13,18H,7-10H2,1-2H3,(H,17,19)(H,21,22)/t13-/m1/s1