taltirelin tetrahydrate Report issue

Small molecule Experimental
ChEMBL Drug Central KEGG PubChem

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Chemistry

Mol. Mass

405.42

ALogP

-2.15

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CCC[C@H]3C(=O)N
  • InChIKey: LQZAIAZUDWIVPM-SRVKXCTJSA-N
    InChI=1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11-,12-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107016   ChEMBL
taltirelin

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