Np mrd loader

Record Information
Version2.0
Created at2024-09-12 01:44:35 UTC
Updated at2024-09-12 01:44:35 UTC
NP-MRD IDNP0340145
Secondary Accession NumbersNone
Natural Product Identification
Common NamePhe-Phe-Pro-Arg
Description Phe-Phe-Pro-Arg was first documented in 2011 (PMID: 21670512). Based on a literature review very few articles have been published on Phe-Phe-Pro-Arg.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC29H39N7O5
Average Mass565.6750 Da
Monoisotopic Mass565.30127 Da
IUPAC Name2-{[(1-{2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-3-phenylpropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-5-carbamimidamidopentanoic acid
Traditional Name2-{[(1-{2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-3-phenylpropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-5-carbamimidamidopentanoic acid
CAS Registry NumberNot Available
SMILES
NC(CC1=CC=CC=C1)C(O)=NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(O)=NC(CCCNC(N)=N)C(O)=O
InChI Identifier
InChI=1/C29H39N7O5/c30-21(17-19-9-3-1-4-10-19)25(37)35-23(18-20-11-5-2-6-12-20)27(39)36-16-8-14-24(36)26(38)34-22(28(40)41)13-7-15-33-29(31)32/h1-6,9-12,21-24H,7-8,13-18,30H2,(H,34,38)(H,35,37)(H,40,41)(H4,31,32,33)
InChI KeyANAFHSULEWIOPZ-UHFFFAOYNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2ChemAxon
pKa (Strongest Acidic)3.16ChemAxon
pKa (Strongest Basic)12.04ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area210.71 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity163.79 m³·mol⁻¹ChemAxon
Polarizability60.55 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Ueno Y, Sakurai T, Okada S, Abe K, Misaka T: Human bitter taste receptors hTAS2R8 and hTAS2R39 with differential functions to recognize bitter peptides. Biosci Biotechnol Biochem. 2011;75(6):1188-90. doi: 10.1271/bbb.100893. Epub 2011 Jun 13. [PubMed:21670512 ]