Basic information
- CAS
57950-57-9- Standard SMILES
C=C(C)C(=O)NCC(=O)NCC(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
YWWIYCKDSDVEBC-UHFFFAOYSA-N- Molecular formula
- C16H18N4O7
- Average molar mass
- 378.34 g/mol
- Monoisotopic mass
- 378.11754893
Names & identifiers
- Preferred name
- (4-Nitrophenyl) 2-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]acetyl]amino]acetate
- IUPAC
- (4-nitrophenyl) 2-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]acetyl]amino]acetate
Names & synonyms
57950-57-9NSC301498(4-nitrophenyl) 2-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]acetyl]amino]acetateDTXSID40316278NSC-3014984-Nitrophenyl N-(2-methylprop-2-enoyl)glycylglycylglycinate
Database identifiers
- CAS
57950-57-9- PubChem CID
- 327253
- DTXSID
DTXSID40316278
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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