[2S-[2R*[R*(R*)]]]-N-[2-[4-(AMINOCARBONYL)-3-THIAZOLIDINYL]-1-(1H-IMIDAZOL-4-YLMETHYL)-2-OXOETHYL]-6-OXOPIPERIDINE-2-CARBOXAMIDE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key OGUDACTYCTVDNZ-SDDRHHMPSA-N
Smiles NC(=O)[C@H]1CSCN1C(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@@H]3CCCC(=O)N3
InChI
InChI=1S/C16H22N6O4S/c17-14(24)12-6-27-8-22(12)16(26)11(4-9-5-18-7-19-9)21-15(25)10-2-1-3-13(23)20-10/h5,7,10-12H,1-4,6,8H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H22N6O4S1
Molecular Weight 394.14
AlogP 1.22
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 158.25
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 66537-55-1
NORMAN SUSDAT
CONTENTS