Chemical Component Summary

Name3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine
Synonyms(R)-3-(1H-Benzoimidazol-2-yl)-2-(3-phenyl-propionylamino)-propionic acid
Identifiers(2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid
FormulaC19 H19 N3 O3
Molecular Weight337.372
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CCC(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O
InChIInChI=1S/C19H19N3O3/c23-18(11-10-13-6-2-1-3-7-13)22-16(19(24)25)12-17-20-14-8-4-5-9-15(14)21-17/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H,24,25)/t16-/m1/s1
InChIKeyAZXJPZVGZBWZMA-MRXNPFEDSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count1
Bond Count46
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 44517642
ChEMBL CHEMBL595949