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Chemistry

Mol. Mass

517.78

ALogP

5.25

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CS[C@@H]4C[C@H]5CC[C@@H](C4)N5C
  • InChIKey: STZYTFJPGGDRJD-NHUWBDDWSA-N
    InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22-,24-,26+,27+,28-,29+,30+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1658   ChEMBL
retapamulin *

CHEMBL409542   ChEMBL
retapamulin

4MG6O8991R   NCATS
retapamulin *

Retapamulin   Wikipedia

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