rotigaptide Report issue

Biologics Peptide Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

617.66

ALogP

-3.39

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)N[C@H](C)C(=O)NCC(N)=O
  • InChIKey: GFJRASPBQLDRRY-TWTQBQJDSA-N
    InChI=1S/C28H39N7O9/c1-15(25(41)30-12-23(29)39)32-24(40)13-31-26(42)22-11-19(38)14-35(22)28(44)21-4-3-9-34(21)27(43)20(33-16(2)36)10-17-5-7-18(37)8-6-17/h5-8,15,19-22,37-38H,3-4,9-14H2,1-2H3,(H2,29,39)(H,30,41)(H,31,42)(H,32,40)(H,33,36)/t15-,19+,20-,21-,22-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL450656   ChEMBL
rotigaptide

Rotigaptide   Wikipedia

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