EPM

N-PALMITOYL-L-METHIONINE

Created:2005-05-23
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count1
Bond Count66
Aromatic Bond Count0
2D diagram of EPM

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Chemical Component Summary

NameN-PALMITOYL-L-METHIONINE
Systematic Name (OpenEye OEToolkits)(2S)-2-(hexadecanoylamino)-4-methylsulfanyl-butanoic acid
FormulaC21 H41 N O3 S
Molecular Weight387.62
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC(C(=O)O)CCSC)CCCCCCCCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCCCCCC(=O)N[CH](CCSC)C(O)=O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O
Canonical SMILESCACTVS3.341 CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O
InChIInChI1.03 InChI=1S/C21H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19(21(24)25)17-18-26-2/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1
InChIKeyInChI1.03 FCVASHHBGGKTGT-IBGZPJMESA-N

Related Resource References

Resource NameReference
PubChem 486207