Chemical Component Summary

Name(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
Synonyms(2E)-3-(3-{(R)-(DIHYDROXYBORYL)[(2-THIENYLACETYL)AMINO]METHYL}PHENYL)ACRYLIC ACID
Identifiers(E)-3-[3-[(R)-dihydroxyboranyl-(2-thiophen-2-ylethanoylamino)methyl]phenyl]prop-2-enoic acid
FormulaC16 H16 B N O5 S
Molecular Weight345.178
TypeNON-POLYMER
Isomeric SMILESB([C@H](c1cccc(c1)\C=C\C(=O)O)NC(=O)Cc2cccs2)(O)O
InChIInChI=1S/C16H16BNO5S/c19-14(10-13-5-2-8-24-13)18-16(17(22)23)12-4-1-3-11(9-12)6-7-15(20)21/h1-9,16,22-23H,10H2,(H,18,19)(H,20,21)/b7-6+/t16-/m0/s1
InChIKeyZDYRJUZJSKGVDJ-MOEXGYKKSA-N

Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count1
Bond Count41
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 24873522
ChEMBL CHEMBL429972