Palmitoyl pentapeptide-4

C39H75N7O10CAS 214047-00-4802.07 g/mol

Open in Covalent MOL file
ONHNH2ONHHOONHHOONHNH2ONHOHOOH
AlcoholAmideCarboxylic acidPrimary amine

Properties

Molecular formula
C39H75N7O10
Molar mass
802.07 g/mol
Exact mass
801.5575 Da
logP
0.99Crippen estimate
Polar surface area
295.5 Ų
H-bond donors / acceptors
11 / 11
Rotatable bonds
35
Stereocentres
S, S, R, S, R, S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 37 ECHA notifiers. Aggregated from 37 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
214047-00-4
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O
InChIKey
WSGCRSMLXFHGRM-DEVHWETNSA-N
InChI
InChI=1S/C39H75N7O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-32(50)42-29(21-17-19-24-40)36(52)45-34(28(3)49)38(54)46-33(27(2)48)37(53)43-30(22-18-20-25-41)35(51)44-31(26-47)39(55)56/h27-31,33-34,47-49H,4-26,40-41H2,1-3H3,(H,42,50)(H,43,53)(H,44,51)(H,45,52)(H,46,54)(H,55,56)/t27-,28-,29+,30+,31+,33+,34+/m1/s1

Weigh it out

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Names and synonyms

1 names
  • Palmitoyl pentapeptide

Work with Palmitoyl pentapeptide-4

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Palmitoyl tetrapeptide-10887140-79-675 % similar Palmitoyl lysyldioxymethionyllysine1447824-23-862 % similar Myristoyl pentapeptide-17959610-30-151 % similar Pal-tripeptide-1147732-56-750 % similar Tb500885340-08-950 % similar Colistimethate8068-28-849 % similar Colistin1066-17-748 % similar Pal-glu(OSu)-OH294855-91-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook