pivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester
Basic information
- CAS
144965-09-3- Standard SMILES
CCOC(=O)C(CSC(=O)C(C)NC(C)=O)NC(=O)C(C)(C)C- InChIKey
UPTPRIZTFCXRGR-ONGXEEELSA-N- Molecular formula
- C15H26N2O5S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.15624311
Overview
an analog of SPM 5185 that lacks the NO moiety
Names & identifiers
- Preferred name
- pivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester
- IUPAC
- ethyl 3-(2-acetamidopropanoylsulfanyl)-2-(2,2-dimethylpropanoylamino)propanoate
- English name
- pivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester
- Molecular formula
- C15H26N2O5S
- Molecular weight
- 346.44
Names & synonyms
144965-09-3Spm-5267Pivaloyl-S-(N'-acetylalanyl)-cysteine ethyl esterRefChem:174627Spm 5267ethyl 3-(2-acetamidopropanoylsulfanyl)-2-(2,2-dimethylpropanoylamino)propanoatepivaloyl-S-(N/'-acetylalanyl)-cysteine ethyl esterDTXSID90932462(S)-N-(2,2-Dimethyl-1-oxopropyl)-L-cystein ethyl ester, 2-(acetylamino)propanoate (ester)L-Cystein, N-(2,2-dimethyl-1-oxopropyl)-, ethyl ester, 2-(acetylamino)propanoate (ester), (S)-N-[1-Ethoxy-3-({2-[(1-hydroxyethylidene)amino]propanoyl}sulfanyl)-1-oxopropan-2-yl]-2,2-dimethylpropanimidic acidL-Cysteine, S-(N-acetyl-L-alanyl)-N-(2,2-dimethyl-1-oxopropyl)-, ethyl ester
Database identifiers
- CAS
144965-09-3- PubChem CID
- 164458
- DTXSID
DTXSID90932462
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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