Analyte Name

Auristatin F-HPA-D4

Molecular Formula

C43 D4 H70 N6 O8

Molecular Weight

807.108

Accurate Mass

806.582

SMILES

[2H]C([2H])(CO)C([2H])([2H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@@H](OC)[C@@H]2CCCN2C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C

InChI

InChI=1S/C43H74N6O8/c1-13-29(6)38(48(10)43(55)36(27(2)3)46-42(54)37(28(4)5)47(8)9)34(56-11)26-35(51)49-23-17-21-33(49)39(57-12)30(7)40(52)45-32(41(53)44-22-18-24-50)25-31-19-15-14-16-20-31/h14-16,19-20,27-30,32-34,36-39,50H,13,17-18,21-26H2,1-12H3,(H,44,53)(H,45,52)(H,46,54)/t29-,30+,32-,33-,34+,36-,37-,38-,39+/m0/s1/i18D2,22D2

IUPAC

(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[(1,1,2,2-tetradeuterio-3-hydroxypropyl)amino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat