Palmitoyl lysyldioxymethionyllysine

C₃₃H₆₅N₅O₇SCAS 1447824-23-8675.97 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine Sulfone

Properties

Molecular formula: C₃₃H₆₅N₅O₇S
Molar mass: 675.97 g/mol
Exact mass: 675.4605 Da
logP: 3.70Crippen estimate
Polar surface area: 210.8 Å²
H-bond donors / acceptors: 6 / 8
Rotatable bonds: 31
Stereocentres: S, S, Sin SMILES atom order

Identifiers

CAS number

1447824-23-8

SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)N[C@@H](CCCCN)C(=O)O

InChIKey

RGXYBFJDNNODFP-AWCRTANDSA-N

InChI

InChI=1S/C33H65N5O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30(39)36-27(20-16-18-24-34)31(40)37-28(23-26-46(2,44)45)32(41)38-29(33(42)43)21-17-19-25-35/h27-29H,3-26,34-35H2,1-2H3,(H,36,39)(H,37,40)(H,38,41)(H,42,43)/t27-,28-,29-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Palmitoyl tripeptide 38

Work with Palmitoyl lysyldioxymethionyllysine

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

Sodium N-lauroylglutamate29923-31-748 % similar Sodium stearoyl glutamate38517-23-648 % similar N-Myristoyl-L-glutamic acid sodium salt38517-37-248 % similar Boc-D-lys-oh106719-44-242 % similar L-Methionine sulfone7314-32-137 % similar (±)-Methionine sulfone820-10-037 % similar Laurylamine acetate2016-56-036 % similar Fmoc-lys-oh105047-45-835 % similar

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

Elsewhere

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