Basic information
- CAS
6527-68-0- Standard SMILES
Nc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(NC(=O)c4ccc(N)cc4)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)cc1- InChIKey
LMZUJDVEPPEXKS-UHFFFAOYSA-N- Molecular formula
- C27H24N6O9S2
- Average molar mass
- 640.6 g/mol
- Monoisotopic mass
- 640.10461871
Names & identifiers
- Preferred name
- 2-[(4-Aminobenzoyl)amino]-5-[[4-[(4-aminobenzoyl)amino]-3-sulfophenyl]carbamoylamino]benzenesulfonic acid
- IUPAC
- 2-[(4-aminobenzoyl)amino]-5-[[4-[(4-aminobenzoyl)amino]-3-sulfophenyl]carbamoylamino]benzenesulfonic acid
Names & synonyms
6527-68-02-[(4-aminobenzoyl)amino]-5-[[4-[(4-aminobenzoyl)amino]-3-sulfophenyl]carbamoylamino]benzenesulfonic acidCID 415683YELLOW 2GLCHEMBL1092744SCHEMBL29637817DTXSID403289523,3'-[Carbonylbis(azanediyl)]bis[6-(4-aminobenzamido)benzene-1-sulfonic acid]
Database identifiers
- CAS
6527-68-0- PubChem CID
- 415683
- DTXSID
DTXSID40328952- ChEMBL
CHEMBL1092744
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 277 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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