Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate
Basic information
- CAS
16707-80-5- Standard SMILES
COC(=O)C(CSCc1ccccc1)NC(=O)CNC(=O)c1ccccc1- InChIKey
FNOZNSDJVDDDGI-UHFFFAOYSA-N- Molecular formula
- C20H22N2O4S
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.13002836
Names & identifiers
- Preferred name
- Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoate
- IUPAC
- methyl 2-[(2-benzamidoacetyl)amino]-3-benzylsulfanylpropanoate
Names & synonyms
NSC16160016707-80-5Methyl 2-(((benzoylamino)acetyl)amino)-3-(benzylthio)propanoateNSC 161600NSC-161600METHYL 2-[(2-BENZAMIDOACETYL)AMINO]-3-BENZYLSULFANYL-PROPANOATE
Database identifiers
- CAS
16707-80-5- PubChem CID
- 294065
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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