[2-(4-aminophenyl)sulfanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] 2-azanyl-3-methyl-3-sulfanyl-butanoate

Systemtic Name: [2-(4-aminophenyl)sulfanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] 2-azanyl-3-methyl-3-sulfanyl-butanoate Openeye Name: [2-(4-aminophenyl)sulfanyl-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] 2-amino-3-methyl-3-sulfanyl-butanoate CAS Name: 2-amino-3-mercapto-3-methylbutanoic acid [2-[(4-aminophenyl)thio]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [2-(4-aminophenyl)sulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-amino-3-methyl-3-sulfanylbutanoate Traditional Name: 2-amino-3-mercapto-3-methyl-butyric acid [2-[(4-aminophenyl)thio]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl] ester Formula: C17H26N2O6S2 MolecularWeight: 418.52814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC1C(C(C(OC1SC2=CC=C(C=C2)N)CO)O)O)N)S

Isomeric SMILES

CC(C)(C(C(=O)OC1C(C(C(OC1SC2=CC=C(C=C2)N)CO)O)O)N)S

InChI

InChI=1S/C17H26N2O6S2/c1-17(2,26)14(19)15(23)25-13-12(22)11(21)10(7-20)24-16(13)27-9-5-3-8(18)4-6-9/h3-6,10-14,16,20-22,26H,7,18-19H2,1-2H3