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Substance Name: Palmitoyllysylvalyldiaminobutyroylthreonine trifluoroacetate
RN: 883558-32-5
UNII: CL9S2UKN56
InChIKey: MCCUAUFXOWFEEM-LAUWSANRSA-N

Molecular Formula

  • C35-H68-N6-O7.2C2-H-F3-O2

Molecular Weight

  • 913.001
 
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Names and Synonyms

Name of Substance

  • Palmitoyllysylvalyldiaminobutyroylthreonine trifluoroacetate

Synonyms

  • L-Threonine, N2-(1-oxohexadecyl)-L-lysyl-L-valyl-(2S)-2,4-diaminobutanoyl-, bis(trifluoroacetate) (salt)
  • Palmitoyl dipeptide-5 diaminobutyroyl hydroxythreonine trifluoroacetate
  • Palmitoyl dipeptide-5 diaminobutyroyl threonine trifluoroacetate
  • Palmitoyllysylvalyldiaminobutyroylthreonine trifluoroacetate
  • UNII-CL9S2UKN56

Registry Numbers

CAS Registry Number

  • 883558-32-5

FDA UNII

  • CL9S2UKN56

System Generated Number

  • 0883558325

Structure Descriptors

InChI

1S/C35H68N6O7.2C2HF3O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29(43)38-27(20-18-19-23-36)32(44)40-30(25(2)3)34(46)39-28(22-24-37)33(45)41-31(26(4)42)35(47)48;2*3-2(4,5)1(6)7/h25-28,30-31,42H,5-24,36-37H2,1-4H3,(H,38,43)(H,39,46)(H,40,44)(H,41,45)(H,47,48);2*(H,6,7)/t26-,27+,28+,30+,31+;;/m1../s1

InChIKey

MCCUAUFXOWFEEM-LAUWSANRSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O