Chemical Component Summary

Name(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid
SynonymsLY466195
Identifiers(3S,4aR,6S,8aR)-6-[[(2S)-2-carboxy-4,4-bis(fluoranyl)pyrrolidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
FormulaC16 H24 F2 N2 O4
Molecular Weight346.37
TypeNON-POLYMER
Isomeric SMILESC1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O
InChIInChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13-/m0/s1
InChIKeyOXQXJYQSWZFDBB-WJTVCTBASA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count5
Bond Count50
Aromatic Bond Count0

Related Resource References

Resource NameReference
Pharos CHEMBL1234118
PubChem 9935648
ChEMBL CHEMBL1234118