Tripeptide-10 citrulline

C₂₂H₄₂N₈O₇CAS 960531-53-7530.63 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine Urea

Properties

Molecular formula: C₂₂H₄₂N₈O₇
Molar mass: 530.63 g/mol
Exact mass: 530.3176 Da
logP: -2.65Crippen estimate
Polar surface area: 274.8 Å²
H-bond donors / acceptors: 9 / 8
Rotatable bonds: 19
Stereocentres: S, S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

960531-53-7

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)N

InChIKey

GKPMARPRXONRJX-BWJWTDLKSA-N

InChI

InChI=1S/C22H42N8O7/c1-3-12(2)17(21(36)28-14(18(25)33)8-6-10-27-22(26)37)30-20(35)15(11-16(31)32)29-19(34)13(24)7-4-5-9-23/h12-15,17H,3-11,23-24H2,1-2H3,(H2,25,33)(H,28,36)(H,29,34)(H,30,35)(H,31,32)(H3,26,27,37)/t12-,13-,14-,15-,17-/m0/s1

Weigh it out

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

Work with Tripeptide-10 citrulline

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

H-Ser-ile-lys-val-ala-val-oh146439-94-349 % similar Thymopentin69558-55-048 % similar Arginyl-arginyl-leucyl-isoleucyl-glutamyl-aspartyl-alanyl-glutamyl-tyrosyl-alanyl-alanyl-arginyl-glycine81156-93-644 % similar Neurokinin A (3-10), lysyl(3)-glycyl(8)-R-lactam-leucine(9)-137593-52-343 % similar Sinapultide138531-07-442 % similar Sermorelin86168-78-742 % similar LL-37 (human) trifluoroacetate salt597562-32-840 % similar Eledoisin69-25-039 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook