Metabolite U6 semaglutide

Name
U6 semaglutide
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 665.694
Monoisotopic: 665.311951213
Chemical Formula
C27H47N5O14
InChI Key
GJVCOOMPLLQBHA-UHFFFAOYSA-N
InChI
InChI=1S/C27H47N5O14/c28-19(26(39)40)3-1-2-8-29-23(35)17-45-15-14-44-12-10-31-24(36)18-46-16-13-43-11-9-30-21(33)5-4-20(27(41)42)32-22(34)6-7-25(37)38/h19-20H,1-18,28H2,(H,29,35)(H,30,33)(H,31,36)(H,32,34)(H,37,38)(H,39,40)(H,41,42)
IUPAC Name
2-amino-6-[2-(2-{2-[2-(2-{2-[4-carboxy-4-(3-carboxypropanamido)butanamido]ethoxy}ethoxy)acetamido]ethoxy}ethoxy)acetamido]hexanoic acid
SMILES
NC(CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCC(O)=O)C(O)=O)C(O)=O
Reactions
External Links
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.379 mg/mLALOGPS
logP-2.6ALOGPS
logP-6.8ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)2.12ChemAxon
pKa (Strongest Basic)9.53ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area291.24 Å2ChemAxon
Rotatable Bond Count30ChemAxon
Refractivity156.02 m3·mol-1ChemAxon
Polarizability70.27 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon