2,2'-Dithiobis(N-phenylaceticacid)benzamide)
Basic information
- CAS
96835-64-2- Standard SMILES
O=C(O)Cc1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(CC(=O)O)cc2)cc1- InChIKey
IUGOMRJDGNTFTM-UHFFFAOYSA-N- Molecular formula
- C30H24N2O6S2
- Average molar mass
- 572.7 g/mol
- Monoisotopic mass
- 572.10757884
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-phenylaceticacid)benzamide)
- IUPAC
- 2-[4-[[2-[[2-[[4-(carboxymethyl)phenyl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]phenyl]acetic acid
Names & synonyms
2,2'-Dithiobis(N-phenylaceticacid)benzamide)96835-64-22,2'-Dithiobis[N-phenylaceticacid]benzamide]CHEMBL48489SCHEMBL7024747DTXSID40242583IUGOMRJDGNTFTM-UHFFFAOYSA-N2-[4-[[2-[[2-[[4-(carboxymethyl)phenyl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]phenyl]acetic acid2,2'-[Disulfanediylbis(2,1-phenylenecarbonylazanediyl-4,1-phenylene)]diacetic acid4-[2-[2-(4-carboxymethylphenylcarbamoyl) phenyldisulfanyl]benzoylamino] phenylacetic acid4-[2-[2-(4-carboxymethylphenylcarbamoyl)-phenyldisulfanyl]benzoylamino]phenylacetic acid
Database identifiers
- CAS
96835-64-2- PubChem CID
- 457474
- DTXSID
DTXSID40242583- ChEMBL
CHEMBL48489- Nikkaji
- J795.959A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 802
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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