Analyte Name

N-tert-Butyloxycarbonyl Glutathione-S-dechloro-atrazine Dimethyl Diester

Molecular Formula

C25 H42 N8 O8 S

Molecular Weight

614.715

Accurate Mass

614.285

SMILES

CCNc1nc(NC(C)C)nc(SC[C@H](NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)C(=O)NCC(=O)OC)n1

InChI

InChI=1S/C25H42N8O8S/c1-9-26-21-31-22(28-14(2)3)33-23(32-21)42-13-16(19(36)27-12-18(35)39-7)29-17(34)11-10-15(20(37)40-8)30-24(38)41-25(4,5)6/h14-16H,9-13H2,1-8H3,(H,27,36)(H,29,34)(H,30,38)(H2,26,28,31,32,33)/t15-,16-/m0/s1

IUPAC

methyl (2S)-5-[[(2R)-3-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-1-[(2-methoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat