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5-Oxoprolylasparaginylglycine

HCID 3971571
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Basic information

CAS
73024-87-0
Standard SMILES
NC(=O)CC(NC(=O)C1CCC(=O)N1)C(=O)NCC(=O)O
InChIKey
HYMUIMPABXIACR-UHFFFAOYSA-N
Molecular formula
C11H16N4O6
Average molar mass
300.27 g/mol
Monoisotopic mass
300.10698424

Names & identifiers

Preferred name
5-Oxoprolylasparaginylglycine
IUPAC
2-[[4-amino-4-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]amino]acetic acid
English name
pGlu-Asn-Gly
Molecular formula
C11H16N4O6
Molecular weight
300.27

Names & synonyms

5-oxoprolylasparaginylglycine73024-87-0pGlu-Asn-Gly2-[[4-amino-4-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]amino]acetic acidPyroGLU-ASN-GLYDTXSID20398310pGlu-Asn-Gly, >=97% (HPLC)Glp-Asn-Gly-OHPYR-ASN-GLY-OHpGlu-Asn-Gly-OHpGlu-L-Asn-Gly-OHL-pGlu-L-Asn-Gly-OH
Show more names
pGlu-Asn-Gly, ≥97% (HPLC)5-Oxo-L-prolyl-L-asparaginylglycineGlycine, 5-oxo-L-prolyl-L-asparaginyl-

Database identifiers

CAS
73024-87-0
PubChem CID
3971571
DTXSID
DTXSID20398310

Properties

Computed structural properties

XLogP
-3.2
Topological polar surface area
168 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
21
Formal charge
0
Complexity
477

Physicochemical properties

Boiling point
966.5 · 966.5±65.0 °C(Predicted)
Density
1.46 · 1.460±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
pka
3.27 · 3.27±0.10(Predicted)
WGK Germany
3 · 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk
3

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Compound notes

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