ZABICIPRILAT

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0A2D355316

Structure

InChI Key HBZJVGFXZTUXNI-XMQLQKOFSA-N
Smiles C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N2C3CCC(CC3)[C@H]2C(O)=O
InChI
InChI=1S/C21H28N2O5/c1-13(22-17(20(25)26)12-7-14-5-3-2-4-6-14)19(24)23-16-10-8-15(9-11-16)18(23)21(27)28/h2-6,13,15-18,22H,7-12H2,1H3,(H,25,26)(H,27,28)/t13-,15?,16?,17-,18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28N2O5
Molecular Weight 388.2
AlogP 1.9
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 106.94
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 90103-92-7
NORMAN SUSDAT
FDA SRS 0A2D355316
CONTENTS