Chemical Component Summary

Name(2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid
Synonyms(R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid
Identifiers(2~{R})-2-(4-fluorophenyl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid
FormulaC12 H14 F N O3 S
Molecular Weight271.308
TypeNON-POLYMER
Isomeric SMILESC[C@H](CS)C(=O)N[C@H](c1ccc(cc1)F)C(=O)O
InChIInChI=1S/C12H14FNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,18H,6H2,1H3,(H,14,15)(H,16,17)/t7-,10-/m1/s1
InChIKeyZSKCTPXPUOLSKO-GMSGAONNSA-N

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count2
Bond Count32
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 132274394
ChEMBL CHEMBL4175515