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Substance Name: Dolastatin 15
RN: 123884-00-4
InChIKey: KCXGUWDDPWDGHH-GZVUCVNVSA-N

Note

  • From Dolabella auricularia; seven subunit depsipeptide.

Molecular Formula

  • C45-H68-N6-O9

Molecular Weight

  • 837.065
 
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Names and Synonyms

Name of Substance

  • Dolastatin 15

Synonym

  • NSC 617668

Systematic Names

  • L-Proline, 1-(1-(N-(N-(N,N-dimethyl-L-valyl)-L-valyl)-N-methyl-L-valyl)-L-prolyl)-, 1-((2,5-dihydro-3-methoxy-5-oxo-2-(phenylmethyl)-1H-pyrrol-1-yl)carbonyl)-2-methylpropyl ester, (S-(R*,R*))-
  • L-Proline, 1-(1-(N-(N-(N,N-dimethyl-L-valyl)-L-valyl)-N-methyl-L-valyl)-L-propyl)-, 1-((2,5-dihydro-3-methoxy-5-oxo-2-(phenylmethyl)-1H-pyrrol-1-yl)carbonyl)-2-methylpropyl ester, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 123884-00-4

System Generated Number

  • 0123884004

Structure Descriptors

InChI

1S/C45H68N6O9/c1-26(2)35(47-40(54)37(28(5)6)48(10)11)39(53)45(21-17-23-50(45)41(55)31-20-16-22-49(31)42(56)36(46-9)27(3)4)44(58)60-38(29(7)8)43(57)51-32(33(59-12)25-34(51)52)24-30-18-14-13-15-19-30/h13-15,18-19,25-29,31-32,35-38,46H,16-17,20-24H2,1-12H3,(H,47,54)/t31-,32-,35-,36-,37-,38-,45+/m0/s1

InChIKey

KCXGUWDDPWDGHH-GZVUCVNVSA-N

Smiles

C([C@]1(N(CCC1)C([C@H]1N(CCC1)C([C@@H](NC)C(C)C)=O)=O)C([C@@H](NC([C@@H](N(C)C)C(C)C)=O)C(C)C)=O)(=O)O[C@@H](C(C)C)C(=O)N1[C@H](C(=CC1=O)OC)Cc1ccccc1