Basic information
- CAS
23067-16-5- Standard SMILES
O=C(O)C(CSSCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
UMGXLEJJKAWCHT-UHFFFAOYSA-N- Molecular formula
- C18H16N6O12S2
- Average molar mass
- 572.5 g/mol
- Monoisotopic mass
- 572.02676231
Names & identifiers
- Preferred name
- N,N-di-dinitrophenyl-L-cystine
- IUPAC
- 3-[[2-carboxy-2-(2,4-dinitroanilino)ethyl]disulfanyl]-2-(2,4-dinitroanilino)propanoic acid
Names & synonyms
23067-16-5N,N-Di-dinitrophenyl-L-cystineEINECS 245-408-1N,N-bis(2,4-dinitrophenyl)-L-cystineRefChem:161119N,N'-Bis(2,4-dinitrophenyl)-L-cysteineCHEMBL1770543-[[2-carboxy-2-(2,4-dinitroanilino)ethyl]disulfanyl]-2-(2,4-dinitroanilino)propanoic acidNSC-505719NSC505719NSC677474N,N'-Bis(2,4-Dinitrophenyl)-L-cystine
Show more names
DTXSID40945744UMGXLEJJKAWCHT-UHFFFAOYSA-N3-[2-Carboxy-2-(2,4-dinitro-phenylamino)-ethyldisulfanyl]-2-(2,4-dinitro-phenylamino)-propionic acidBDBM50056912N,N'-bis(2,4-dinitrophenyl)cystineNS000502382-(2,4-dinitroanilino)-3-[[2-(2,4-dinitroanilino)-3-hydroxy-3-oxo-propyl]disulfanyl]propanoic acid
Database identifiers
- CAS
23067-16-5- PubChem CID
- 90876
- DTXSID
DTXSID40945744- ChEMBL
CHEMBL177054- EC Number
- 105-866-4、245-408-1
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 333 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 834
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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