Chemical Component Summary

Name(2~{S})-2-(hexadecanoylamino)-3-phenyl-propanoic acid
Identifiers(2~{S})-2-(hexadecanoylamino)-3-phenyl-propanoic acid
FormulaC25 H41 N O3
Molecular Weight403.598
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(27)26-23(25(28)29)21-22-18-15-14-16-19-22/h14-16,18-19,23H,2-13,17,20-21H2,1H3,(H,26,27)(H,28,29)/t23-/m0/s1
InChIKeyBAHIJPSQSKWCJX-QHCPKHFHSA-N

Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count1
Bond Count70
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 181534
ChEMBL CHEMBL4226845
ChEBI CHEBI:165556