3-[(2-Methoxy-2-oxoethyl)disulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid
Basic information
- CAS
7697-00-9- Standard SMILES
COC(=O)CSSCC(NC(=O)OCc1ccccc1)C(=O)O- InChIKey
IJVAOMFVYUGMSN-UHFFFAOYSA-N- Molecular formula
- C14H17NO6S2
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.04972961
Names & identifiers
- Preferred name
- 3-[(2-Methoxy-2-oxoethyl)disulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid
- IUPAC
- 3-[(2-methoxy-2-oxoethyl)disulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid
Names & synonyms
NSC129893NSC-1298937697-00-9
Database identifiers
- CAS
7697-00-9- PubChem CID
- 279396
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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