Palmitoyl pentapeptide-4

C₃₉H₇₅N₇O₁₀CAS 214047-00-4802.07 g/mol

Open in Covalent MOL file

Alcohol Amide Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 11 / 11
Rotatable bonds: 35
Stereocentres: S, S, R, S, R, S, Sin SMILES atom order

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

Type any one amount. The others follow from the molar mass.

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 lysyldioxymethionyllysine1447824-23-862 % similar Pal-tripeptide-1147732-56-750 % similar Colistin1066-17-748 % similar Acetyl hexapeptide 381400634-44-746 % similar H-Ser-ile-lys-val-ala-val-oh146439-94-345 % similar Sinapultide138531-07-444 % similar Sodium N-lauroylglutamate29923-31-743 % similar Sodium stearoyl glutamate38517-23-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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