4-methylsulfanyl-2-[nitroso-[(3S,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[nitroso-[(3S,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[nitroso-[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxo-hexyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[nitroso-[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[nitroso-[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[nitroso-[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-keto-hexyl]amino]butyric acid Formula: C11H20N2O8S MolecularWeight: 340.3501

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N(CC(=O)C(C(C(CO)O)O)O)N=O

Isomeric SMILES

CSCCC(C(=O)O)N(CC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)N=O

InChI

InChI=1S/C11H20N2O8S/c1-22-3-2-6(11(19)20)13(12-21)4-7(15)9(17)10(18)8(16)5-14/h6,8-10,14,16-18H,2-5H2,1H3,(H,19,20)/t6?,8-,9-,10-/m1/s1