Analyte Name

4-Glutathionyl Cyclophosphamide-d4

Molecular Formula

C17 D4 H26 Cl2 N5 O8 P S

Molecular Weight

570.418

Accurate Mass

569.118

SMILES

[2H]C([2H])(Cl)CN(CC([2H])([2H])Cl)P1(=O)NC(CCO1)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O

InChI

InChI=1S/C17H30Cl2N5O8PS/c18-4-6-24(7-5-19)33(31)23-14(3-8-32-33)34-10-12(16(28)21-9-15(26)27)22-13(25)2-1-11(20)17(29)30/h11-12,14H,1-10,20H2,(H,21,28)(H,22,25)(H,23,31)(H,26,27)(H,29,30)/t11-,12-,14?,33?/m0/s1/i4D2,5D2

IUPAC

(2S)-2-amino-5-[[(2R)-3-[[2-[bis(2-chloro-2,2-dideuterioethyl)amino]-2-oxo-1,3,2?5-oxazaphosphinan-4-yl]sulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Unlabelled CAS Number

77273-67-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat