Metabolite Histidyl-lysine
- Name
- Histidyl-lysine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 283.332
Monoisotopic: 283.164439556 - Chemical Formula
- C12H21N5O3
- InChI Key
- CZVQSYNVUHAILZ-UWVGGRQHSA-N
- InChI
- InChI=1S/C12H21N5O3/c13-4-2-1-3-10(12(19)20)17-11(18)9(14)5-8-6-15-7-16-8/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)/t9-,10-/m0/s1
- IUPAC Name
- (2S)-6-amino-2-{[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}hexanoic acid
- SMILES
- [H][C@](N)(CC1=CN=CN1)C(O)=N[C@@]([H])(CCCCN)C(O)=O
- Reactions
- Prezatide Histidyl-lysine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 180.9580544 predictedDarkChem Lite v0.1.0 [M-H]- 160.89076 predictedDeepCCS 1.0 (2019) [M+H]+ 180.7378544 predictedDarkChem Lite v0.1.0 [M+H]+ 163.28688 predictedDeepCCS 1.0 (2019) [M+Na]+ 180.6106544 predictedDarkChem Lite v0.1.0 [M+Na]+ 169.49063 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 130667
- ChEBI
- 74052
- ZINC
- ZINC000001589375
- Predicted Properties
Property Value Source Water Solubility 0.689 mg/mL ALOGPS logP -2.7 ALOGPS logP -5.7 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 3.2 Chemaxon pKa (Strongest Basic) 10.29 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 150.61 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 73.19 m3·mol-1 Chemaxon Polarizability 29.57 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon