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Substance Name: Soblidotin [INN]
RN: 149606-27-9
UNII: DQC51A0WQH
InChIKey: DZMVCVHATYROOS-ZBFGKEHZSA-N

Note

  • A dolastatin 10 derivative.

Classification Code

  • Antineoplastic Agents

Molecular Formula

  • C39-H67-N5-O6

Molecular Weight

  • 701.9873
 
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Names and Synonyms

Name of Substance

  • Soblidotin
  • Soblidotin [INN]

Synonyms

  • Auristatin PE
  • N(2)-(N,N-Dimethyl-valyl)-N-(2-methoxy-4-(2-(1-methoxy-2-methyl-3-oxo-3-((2-phenylethyl)amino)propyl)-1-pyrrolidinyl)-1-(1-methylpropyl)-4-oxobutyl)-N-methyl-valinamide
  • N(sup 2)-(N,N-Dimethyl-L-valyl)-N(sup 1)-((1S,2R)-2-methoxy-4-((2S)-2-((1R,2R)-1-methoxy-2-methyl-3-oxo-3-((2-phenylethyl)amino)propyl)-1-pyrrolidinyl)-1-((1S)-1-methylpropyl)-4-oxobutyl)-N(sup 1)-methyl-L-valinamide
  • Soblidotin
  • TZT 1027
  • TZT-1027
  • UNII-DQC51A0WQH

Systematic Names

  • L-Valinamide, N,N-dimethyl-L-valyl-N-((1S,2R)-2-methoxy-4-((2S)-2-((1R,2R)-1-methoxy-2-methyl-3-oxo-3-((2-phenylethyl)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-phenylethyl)amino)propyl)-1-pyrrolidinyl)-1-(1-methylpropyl)-4-oxobutyl)-N-methyl-, (2S-(1(1R*(R*),2S*),2R*(1S*,2S*)))-

Registry Numbers

CAS Registry Number

  • 149606-27-9

FDA UNII

  • DQC51A0WQH

System Generated Number

  • 0149606279

Structure Descriptors

InChI

1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30-,31+,33-,34-,35-,36+/m0/s1

InChIKey

DZMVCVHATYROOS-ZBFGKEHZSA-N

Smiles

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C