Basic information
- CAS
193896-51-4- Standard SMILES
O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1SSc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
MBASBWFDXBTOFV-UIOOFZCWSA-N- Molecular formula
- C32H28N2O6S2
- Average molar mass
- 600.7 g/mol
- Monoisotopic mass
- 600.13887896
Names & identifiers
- Preferred name
- (2S)-2-[[2-[[2-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-phenyl-propanoic acid
- IUPAC
- (2S)-2-[[2-[[2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-phenylpropanoic acid
Names & synonyms
DTXSID401032127(2S)-2-[[2-[[2-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-phenyl-propanoic acid193896-51-4(2S,2'S)-2,2'-(Dithiobis(benzene-2,1-diylcarbonylimino))bis(3-phenylpropanoic acid)[S-(R*,R*)]-2-{2-[2)-(1-Carboxy-2-phenyl-ethylcarbamoyl)-phenyldisulfanyl]-benzoylamino}-3-phenyl-propionic acid
Database identifiers
- CAS
193896-51-4- PubChem CID
- 476342
- DTXSID
DTXSID401032127
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 835
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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