Basic information
- CAS
99127-64-7- Standard SMILES
CCN1C(=O)C=C(SC[C@H](N)C(=O)NCC(=O)O)C1=O- InChIKey
DHQPSIMCIJGMOJ-LURJTMIESA-N- Molecular formula
- C11H15N3O5S
- Average molar mass
- 301.32 g/mol
- Monoisotopic mass
- 301.07324176
Names & identifiers
- Preferred name
- N-Ethylmaleimide-cysteinyl-glycine
- IUPAC
- 2-[[(2R)-2-amino-3-(1-ethyl-2,5-dioxopyrrol-3-yl)sulfanylpropanoyl]amino]acetic acid
- English name
- N-ethylmaleimide-cysteinyl-glycine
- Molecular formula
- C11H15N3O5S
- Molecular weight
- 0
Names & synonyms
N-Ethylmaleimide-cysteinyl-glycine99127-64-7RefChem:163357Glycine, N-(S-(1-ethyl-2,5-dihydro-2,5-dioxo-1H-pyrrol-3-yl)-L-cysteinyl)-, (E,E)-(L-Cys-gly)-nemDTXSID80912854S-(Ethylsuccinimido)-L-cysteinyl-glycineGlycine, N-(S-(1-ethyl-2,5-dihydro-2,5-dioxo-1H-pyrrol-3-yl)-L-cysteinyl)-N-{(2R)-2-Amino-3-[(1-ethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]-1-hydroxypropylidene}glycineN-{2-Amino-3-[(1-ethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]-1-hydroxypropylidene}glycine2-[[(2R)-2-amino-3-(1-ethyl-2,5-dioxopyrrol-3-yl)sulfanylpropanoyl]amino]acetic acid
Database identifiers
- CAS
99127-64-7- PubChem CID
- 127239
- DTXSID
DTXSID80912854
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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