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AC-Gly-arg-gly-NH2

PubChem CID
92489502
Structure
AC-Gly-arg-gly-NH2_small.png
AC-Gly-arg-gly-NH2_3D_Structure.png
Molecular Formula
Synonyms
  • AC-GLY-ARG-GLY-NH2
  • 176520-14-2
  • (2S)-2-[(2-acetamidoacetyl)amino]-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide
  • (S)-2-(2-Acetamidoacetamido)-N-(2-amino-2-oxoethyl)-5-guanidinopentanamide
Molecular Weight
329.36 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
  • Create:
    2015-12-10
  • Modify:
    2025-01-18

1 Structures

1.1 2D Structure

Chemical Structure Depiction
AC-Gly-arg-gly-NH2.png

1.2 3D Conformer

2 Biologic Description

SVG Image
SVG Image
IUPAC Condensed
Ac-Gly-Arg-Gly-NH2
Sequence
GRG
PLN
[acetyl]-GRG-[NH2]
HELM
PEPTIDE1{[ac].G.R.G.[am]}$$$$
IUPAC
N-acetyl-glycyl-L-arginyl-glycinamide

3 Names and Identifiers

3.1 Computed Descriptors

3.1.1 IUPAC Name

(2S)-2-[(2-acetamidoacetyl)amino]-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)

3.1.2 InChI

InChI=1S/C12H23N7O4/c1-7(20)17-6-10(22)19-8(3-2-4-16-12(14)15)11(23)18-5-9(13)21/h8H,2-6H2,1H3,(H2,13,21)(H,17,20)(H,18,23)(H,19,22)(H4,14,15,16)/t8-/m0/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

3.1.3 InChIKey

KZGGGXCZHOKQED-QMMMGPOBSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

3.1.4 SMILES

CC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

3.2 Molecular Formula

C12H23N7O4
Computed by PubChem 2.2 (PubChem release 2024.11.20)

3.3 Synonyms

3.3.1 Depositor-Supplied Synonyms

4 Chemical and Physical Properties

4.1 Computed Properties

Property Name
Molecular Weight
Property Value
329.36 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
-3.7
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
329.18115224 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
329.18115224 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
195 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
474
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

6 Chemical Vendors

7 Information Sources

CONTENTS