Monomethylauristatin E

CAS Registry Number®

474645-27-7
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CAS Name

Monomethylauristatin E

Molecular Formula

C39H67N5O7

Molecular Mass

717.98

Cite this Page

Monomethylauristatin E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=474645-27-7 (retrieved 2024-04-20) (CAS RN: 474645-27-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=DASWEROEPLKSEI-UIJRFTGLSA-N

SMILES

[C@H]([C@H](C(N[C@@H]([C@@H](O)C1=CC=CC=C1)C)=O)C)(OC)[C@]2(N(C(C[C@H]([C@@H](N(C([C@@H](NC([C@H](C(C)C)NC)=O)[C@H](C)C)=O)C)[C@H](CC)C)OC)=O)CCC2)[H]

Canonical SMILES

O=C(NC(C(=O)N(C)C(C(OC)CC(=O)N1CCCC1C(OC)C(C(=O)NC(C)C(O)C=2C=CC=CC2)C)C(C)CC)C(C)C)C(NC)C(C)C

Other Names for this Substance

  • L-Valinamide, N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-
  • N-Methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide
  • MMAE
  • Monomethylauristatin E
  • Monomethylauristatin norephedrine

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