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Product Overview

Product Code

TRC-M425410

CAS Number

474645-27-7

Product Format

Neat

Molecular Formula

C39H67N5O7

Molecular Weight

717.98

API Family

Dolastatin, MMAE

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

MMAE

CAS Number

474645-27-7

Molecular Formula

C39H67N5O7

Molecular Weight

717.98

Accurate Mass

717.504

SMILES

CC[C@@H]([C@H](N(C([C@@H](NC([C@@H](NC)C(C)C)=O)C(C)C)=O)C)[C@H](OC)CC(N1CCC[C@H]1[C@H](OC)[C@H](C(N[C@@H]([C@@H](O)C2=CC=CC=C2)C)=O)C)=O)C

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

IUPAC

(2S)-N-[(2S)-1-[[(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]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Dolastatin; MMAE

Purity

>95% (HPLC)

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