Properties
Molecular Formula
C30H54N6O5
Molecular Weight
578.8
Monoisotopic Mass
578.41556884
Polar Area
179
Complexity
738
XLogP
3.2
Heavy Atom Count
41
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
26
PubChem LCSS
Palmitoyl Tripeptide-1 Laboratory Chemical Safety Summary
Identifiers
CID
10231864
InChI
InChI=1S/C30H54N6O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27(37)33-22-28(38)35-26(20-24-21-32-23-34-24)29(39)36-25(30(40)41)17-15-16-19-31/h21,23,25-26H,2-20,22,31H2,1H3,(H,32,34)(H,33,37)(H,35,38)(H,36,39)(H,40,41)/t25-,26-/m0/s1
InChIKey
BYUQATUKPXLFLZ-UIOOFZCWSA-N
Isometric SMILES
CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)O
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)NCC(=O)NC(CC1=CN=CN1)C(=O)NC(CCCCN)C(=O)O
IUPAC Name
(2S)-6-amino-2-[[(2S)-2-[[2-(hexadecanoylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid





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