(4-methoxyphenyl)sulfonyl 2-azanyl-3-[2,3-bis(oxidanyl)propylsulfanyl]-3-methyl-butanoate

Systemtic Name: (4-methoxyphenyl)sulfonyl 2-azanyl-3-[2,3-bis(oxidanyl)propylsulfanyl]-3-methyl-butanoate Openeye Name: (4-methoxyphenyl)sulfonyl 2-amino-3-(2,3-dihydroxypropylsulfanyl)-3-methyl-butanoate CAS Name: 2-amino-3-(2,3-dihydroxypropylthio)-3-methylbutanoic acid (4-methoxyphenyl)sulfonyl ester IUPAC Name: (4-methoxyphenyl)sulfonyl 2-amino-3-(2,3-dihydroxypropylsulfanyl)-3-methylbutanoate Traditional Name: 2-amino-3-(glycerylthio)-3-methyl-butyric acid (4-methoxyphenyl)sulfonyl ester Formula: C15H23NO7S2 MolecularWeight: 393.47562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OS(=O)(=O)C1=CC=C(C=C1)OC)N)SCC(CO)O

Isomeric SMILES

CC(C)(C(C(=O)OS(=O)(=O)C1=CC=C(C=C1)OC)N)SCC(CO)O

InChI

InChI=1S/C15H23NO7S2/c1-15(2,24-9-10(18)8-17)13(16)14(19)23-25(20,21)12-6-4-11(22-3)5-7-12/h4-7,10,13,17-18H,8-9,16H2,1-3H3