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Chemistry

Mol. Mass

466.63

ALogP

2.39

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)O)SCCS3
  • InChIKey: HRWCVUIFMSZDJS-SZMVWBNQSA-N
    InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL431   ChEMBL
spirapril *

CHEMBL1200831   ChEMBL
spirapril hydrochloride

CHEMBL579   ChEMBL
spiraprilat

QS56V5Y7EC   NCATS
spiraprilat *

Spirapril   Wikipedia

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