Chemical Component Summary

Name5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid
Identifiers5-[(3aR,6S,6aS)-2-oxidanylidene-3-phenylmethoxycarbonyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid
FormulaC18 H22 N2 O5 S
Molecular Weight378.443
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O
InChIInChI=1S/C18H22N2O5S/c21-15(22)9-5-4-8-14-16-13(11-26-14)20(17(23)19-16)18(24)25-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,19,23)(H,21,22)/t13-,14-,16-/m0/s1
InChIKeyBWNGWJMPVBQLHD-DZKIICNBSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count3
Bond Count50
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 54751694