N-acetylglycyl-histidyl-glycine
Basic information
- CAS
3654-95-3- Standard SMILES
CC(=O)NCC(=O)N[C@@H](CC1C=NC=N1)C(=O)NCC(=O)O- InChIKey
GLPFVICFSGSZMF-GKAPJAKFSA-N- Molecular formula
- C12H17N5O5
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.12296866
Names & identifiers
- Preferred name
- N-acetylglycyl-histidyl-glycine
- IUPAC
- 2-[[(2S)-2-[(2-acetamidoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]acetic acid
- English name
- N-acetylglycyl-histidyl-glycine
- Molecular formula
- C12H17N5O5
- Molecular weight
- 311.29
Names & synonyms
N-Acetyl-gly-his-glyN-Acetylglycyl-histidyl-glycine3654-95-3Glycine, N-(N-(N-acetylglycyl)-L-histidyl)-RefChem:162742DTXSID50957838N-[(2S)-1-Hydroxy-2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]ethylidene}amino)-3-(4H-imidazol-4-yl)propylidene]glycineN-[1-Hydroxy-2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]ethylidene}amino)-3-(4H-imidazol-4-yl)propylidene]glycineGlycine, N-acetylglycyl-L-histidyl-
Database identifiers
- CAS
3654-95-3- PubChem CID
- 193379
- DTXSID
DTXSID50957838
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Boiling point
- 963.9 · 963.9±65.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- pka
- 3.2 · 3.20±0.10(Predicted)
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Compound notes
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