Analyte Name

4-Methoxybenzyl-D-penicillamine N-Lactose Adduct

Molecular Formula

C26 H41 N O12 S

Molecular Weight

591.668

Accurate Mass

591.235

SMILES

CCc1ccc(CSC(C)(C)C(NC2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)O)cc1

InChI

InChI=1S/C26H41NO12S/c1-4-12-5-7-13(8-6-12)11-40-26(2,3)22(24(35)36)27-23-19(33)18(32)21(15(10-29)37-23)39-25-20(34)17(31)16(30)14(9-28)38-25/h5-8,14-23,25,27-34H,4,9-11H2,1-3H3,(H,35,36)/t14-,15-,16+,17+,18-,19-,20-,21-,22?,23?,25+/m1/s1

IUPAC

2-[[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]-3-[(4-ethylphenyl)methylsulfanyl]-3-methylbutanoic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat