ChemFOnt: Showing chemical card for Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid (CFc000232359)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 02:01:28 UTC

Chemfont ID

CFc000232359

Molecule Identification

Common Name

Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid

Definition

Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Glycyl-prolyl-arginyl-valyl-valyl-glutamate	Generator

Chemical Formula

C₂₈H₄₉N₉O₉

Average Molecular Weight

655.754

Monoisotopic Molecular Weight

655.365324194

IUPAC Name

2-{2-[2-(2-{[1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanamido)-3-methylbutanamido]-3-methylbutanamido}pentanedioic acid

Traditional Name

2-{2-[2-(2-{[1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanamido)-3-methylbutanamido]-3-methylbutanamido}pentanedioic acid

CAS Registry Number

Not Available

SMILES

CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(C)C)C(=O)NC(CCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C28H49N9O9/c1-14(2)21(25(43)34-17(27(45)46)9-10-20(39)40)36-26(44)22(15(3)4)35-23(41)16(7-5-11-32-28(30)31)33-24(42)18-8-6-12-37(18)19(38)13-29/h14-18,21-22H,5-13,29H2,1-4H3,(H,33,42)(H,34,43)(H,35,41)(H,36,44)(H,39,40)(H,45,46)(H4,30,31,32)

InChI Key

DSVOSLJAGTUKFB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Glutamic acid or derivatives
Valine or derivatives
Proline or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Branched fatty acid
Heterocyclic fatty acid
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Tertiary carboxylic acid amide
Pyrrolidine
Secondary carboxylic acid amide
Amino acid or derivatives
Amino acid
Carboxamide group
Guanidine
Carboximidamide
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboxylic acid
Organoheterocyclic compound
Azacycle
Amine
Organonitrogen compound
Carbonyl group
Organooxygen compound
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
Primary aliphatic amine
Organic oxygen compound
Primary amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.2 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-7	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	3.1	ChemAxon
pKa (Strongest Basic)	10.77	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	301.73 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	162.09 m³·mol⁻¹	ChemAxon
Polarizability	67.41 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0252831

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

11227406

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

22219020

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid (CFc000232359)

MOL for CFc000232359 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

3D MOL for CFc000232359 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

3D SDF for CFc000232359 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

3D-SDF for CFc000232359 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

PDB for CFc000232359 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

3D PDB for CFc000232359 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

SMILES for CFc000232359 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

INCHI for CFc000232359 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

Structure for CFc000232359 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

3D Structure for CFc000232359 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)