Dolastatin 10

CAS Registry Number®

110417-88-4
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CAS Name

Dolastatin 10

Molecular Formula

C42H68N6O6S

Molecular Mass

785.09

Cite this Page

Dolastatin 10.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110417-88-4 (retrieved 2024-05-17) (CAS RN: 110417-88-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1

InChIKey

InChIKey=OFDNQWIFNXBECV-VFSYNPLYSA-N

SMILES

[C@H]([C@H](C(N[C@@H](CC1=CC=CC=C1)C2=NC=CS2)=O)C)(OC)[C@]3(N(C(C[C@H]([C@@H](N(C([C@@H](NC([C@H](C(C)C)N(C)C)=O)C(C)C)=O)C)[C@H](CC)C)OC)=O)CCC3)[H]

Canonical SMILES

O=C(NC(C(=O)N(C)C(C(OC)CC(=O)N1CCCC1C(OC)C(C(=O)NC(C2=NC=CS2)CC=3C=CC=CC3)C)C(C)CC)C(C)C)C(N(C)C)C(C)C

Other Names for this Substance

  • L-Valinamide, N,N-dimethyl-L-valyl-N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-
  • L-Valinamide, N,N-dimethyl-L-valyl-N-[2-methoxy-4-[2-[1-methoxy-2-methyl-3-oxo-3-[[2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-(1-methylpropyl)-4-oxobutyl]-N-methyl-, [2S-[1[1R*(R*),2S*],2R*[1S*,2S*,3(R*)]]]-
  • N,N-Dimethyl-L-valyl-N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide
  • Dolastatin 10
  • NSC 376128

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