saralasin (sarenin) Report issue

Small molecule Approved FDA
ChEMBL Drug Central Drugs@FDA KEGG MeSH PubChem

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Chemistry

Mol. Mass

912.06

ALogP

-2.3

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C
  • InChIKey: PFGWGEPQIUAZME-NXSMLHPHSA-N
    InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL938   ChEMBL
saralasin *

CHEMBL1200670   ChEMBL
saralasin acetate

H2AFV2HE66   NCATS
saralasin *

Saralasin   Wikipedia

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