Largazole-d15

Analyte Name

Largazole-d15

Molecular Formula

C29H27D15N4O5S3

Molecular Weight

637.96

Accurate Mass

637.33

SMILES

O=C(N[C@H](C(O[C@@H](CC(NCC1=NC2=CS1)=O)/C=C/CCSC(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])=O)=O)C(C)C)[C@@]3(CSC2=N3)C

InChI

InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1/i1D3,5D2,6D2,7D2,8D2,9D2,13D2

IUPAC

S-((E)-4-((12Z,22Z,24R,5S,8S)-5-isopropyl-24-methyl-3,6,10-trioxo-24,25-dihydro-7-oxa-4,11-diaza-1(4,2),2(2,4)-dithiazolacyclododecaphane-8-yl)but-3-en-1-yl) octanethioate-d15

Unlabelled CAS Number

1009815-87-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat