Cryptophycin 52

CAS Registry Number®

186256-67-7
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CAS Name

Cryptophycin 52

Molecular Formula

C36H45ClN2O8

Molecular Mass

669.20

Cite this Page

Cryptophycin 52.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=186256-67-7 (retrieved 2024-05-16) (CAS RN: 186256-67-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=LSXOBYNBRKOTIQ-RQUBOUMQSA-N

SMILES

[C@@H](C)([C@@]1([C@H](O1)C2=CC=CC=C2)[H])[C@]3(OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC(=O)[C@@H](CC4=CC(Cl)=C(OC)C=C4)NC(=O)\C=C\C3)[H]

Canonical SMILES

O=C1C=CCC(OC(=O)C(OC(=O)C(C)(C)CNC(=O)C(N1)CC2=CC=C(OC)C(Cl)=C2)CC(C)C)C(C)C3OC3C=4C=CC=CC4

Other Names for this Substance

  • Cyclo[2,2-dimethyl-β-alanyl-(2S)-2-hydroxy-4-methylpentanoyl-(2E,5S,6S)-5-hydroxy-6-[(2R,3R)-3-phenyl-2-oxiranyl]-2-heptenoyl-3-chloro-O-methyl-D-tyrosyl]
  • Pentanoic acid, 3-chloro-N-[(2E,5S,6S)-5-hydroxy-1-oxo-6-[(2R,3R)-3-phenyloxiranyl]-2-heptenyl]-O-methyl-D-tyrosyl-2,2-dimethyl-β-alanyl-2-hydroxy-4-methyl-, (3→1)-lactone, (2S)-
  • Cyclo[2,2-dimethyl-β-alanyl-(2S)-2-hydroxy-4-methylpentanoyl-(2E,5S,6S)-5-hydroxy-6-[(2R,3R)-3-phenyloxiranyl]-2-heptenoyl-3-chloro-O-methyl-D-tyrosyl]
  • Cryptophycin 52
  • LY 355703

Deleted or Replaced CAS Registry Numbers

204990-60-3

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