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Substance Name: Cryptophycin 53
RN: 186256-68-8
UNII: W4ORV25OJO
InChIKey: LSXOBYNBRKOTIQ-MBQKXPENSA-N

Molecular Formula

  • C36-H45-Cl-N2-O8

Molecular Weight

  • 669.2105
 
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Names and Synonyms

Name of Substance

  • Cryptophycin 53

Synonyms

  • (+)-Cryptophycin 53
  • Cryptophycin 53
  • Cryptophycin 53, (+)-
  • Cryptophycin-53
  • Cyclo(2,2-dimethyl-beta-alanyl-(2S)-2-hydroxy-4-methylpentanoyl-(2E,5S,6S)-5-hydroxy-6-((2S,3S)-3-phenyl-2-oxiranyl)-2-heptenoyl-3-chloro-O-methyl-D-tyrosyl)
  • Cyclo(2,2-dimethyl-beta-alanyl-(2S)-2-hydroxy-4-methylpentanoyl-(2E,5S,6S)-5-hydroxy-6-((2S,3S)-3-phenyloxiranyl)-2-heptenoyl-3-chloro-O-methyl-D-tyrosyl)
  • Pentanoic acid, 3-chloro-N-((2E,5S,6S)-5-hydroxy-1-oxo-6-((2S,3S)-3-phenyloxiranyl)-2-heptenyl)-O-methyl-D-tyrosyl-2,2-dimethyl-beta-alanyl-2-hydroxy-4-methyl-, (3,1)-lactone, (2S)-
  • UNII-W4ORV25OJO

Registry Numbers

CAS Registry Number

  • 186256-68-8

FDA UNII

  • W4ORV25OJO

System Generated Number

  • 0186256688

Structure Descriptors

InChI

1S/C36H45ClN2O8/c1-21(2)17-29-34(42)45-27(22(3)31-32(47-31)24-11-8-7-9-12-24)13-10-14-30(40)39-26(19-23-15-16-28(44-6)25(37)18-23)33(41)38-20-36(4,5)35(43)46-29/h7-12,14-16,18,21-22,26-27,29,31-32H,13,17,19-20H2,1-6H3,(H,38,41)(H,39,40)/b14-10+/t22-,26+,27-,29-,31-,32-/m0/s1

InChIKey

LSXOBYNBRKOTIQ-MBQKXPENSA-N

Smiles

C[C@H]([C@H]1[C@@H](O1)c2ccccc2)C3C/C=C/C(=O)N[C@@H](C(=O)NCC(C(=O)O[C@H](C(=O)O3)CC(C)C)(C)C)Cc4ccc(c(c4)Cl)OC