PC 12 ester
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Basic information
- CAS
135949-54-1- Standard SMILES
CC(C)CC(N)CSSCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1- InChIKey
AOAAKTIWWOEKKS-UHFFFAOYSA-N- Molecular formula
- C25H34N2O3S2
- Average molar mass
- 474.7 g/mol
- Monoisotopic mass
- 474.2010853
Overview
a prodrug mixed inhibitor of enkephalin-degrading enzymes
Names & identifiers
- Preferred name
- PC 12 ester
- IUPAC
- benzyl 2-[[2-[[(2-amino-4-methylpentyl)disulfanyl]methyl]-3-phenylpropanoyl]amino]acetate
- English name
- N-[2-[[(2-amino-4-methylpentyl)dithio]methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester
- Molecular formula
- C25H34N2O3S2
- Molecular weight
- 474.68
Names & synonyms
PC 12 ester135949-54-1PC-12 esterRefChem:170239N-(2-Benzyl-3-((2-amino-4-methylpentyl)dithio)-1-oxopropyl)glycine benzyl esterPC-12N-(2-(((2-Amino-4-methylpentyl)dithio)methyl)-1-oxo-3-phenylpropyl)glycine phenylmethyl esterDTXSID009291862-{[(2-Amino-4-methylpentyl)disulfanyl]methyl}-N-[2-(benzyloxy)-2-oxoethyl]-3-phenylpropanimidato2-{[(2-Amino-4-methylpentyl)disulfanyl]methyl}-N-[2-(benzyloxy)-2-oxoethyl]-3-phenylpropanimidic acidGlycine, N-(2-(((2-amino-4-methylpentyl)dithio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl esterN-[2-[[(2-amino-4-methylpentyl)dithio]methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester
Show more names
Glycine, N-[2-[[(2-amino-4-methylpentyl)dithio]methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester
Database identifiers
- CAS
135949-54-1- PubChem CID
- 3036508
- DTXSID
DTXSID00929186
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 535
Physicochemical properties
- Boiling point
- 640.6 · 640.6±55.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 13.73 · 13.73±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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