Chemical Component Summary

Name3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine
Synonyms(R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-furan-3-carbonyl)-amino]-propionic acid
Identifiers(2R)-3-(1H-benzimidazol-2-yl)-2-[(2-methylfuran-3-yl)carbonylamino]propanoic acid
FormulaC16 H15 N3 O4
Molecular Weight313.308
TypeNON-POLYMER
Isomeric SMILESCc1c(cco1)C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O
InChIInChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1
InChIKeyIBXZTXVMQARJHH-CYBMUJFWSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count1
Bond Count40
Aromatic Bond Count15

Related Resource References

Resource NameReference
PubChem 44517644
ChEMBL CHEMBL595028