MMAE-d8

Catalog Number	ACM2070009720
CAS	2070009-72-0
Structure
Synonyms	Monomethyl auristatin E-d8; Deuterated labeled MMAE
IUPAC Name	(2S)-2,3,4,4,4-pentadeuterio-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-3-(trideuteriomethyl)butanamide
Molecular Weight	726.03
Molecular Formula	C39H59D8N5O7
Canonical SMILES	[2H][C@@](C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])NC(=O)[C@H](C(C)C)NC
InChI	InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32-,33-,34-,35+,36+/m0/s1/i4D3,5D3,24D,33D
InChI Key	DASWEROEPLKSEI-CMHCZSPYSA-N
Purity	>99%
Appearance	White to off-white solid
Storage	-20 °C
Shipping	Room temperature
CAS (Unlabeled)	474645-27-7

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MMAE-d8 (2070009-72-0)

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