Basic information
- CAS
745017-27-0- Standard SMILES
O=C(O)C=CC(=O)NCCNCCNCCNC(=O)C=CC(=O)O- InChIKey
YGNIPBZARLPXOO-UHFFFAOYSA-N- Molecular formula
- C14H22N4O6
- Average molar mass
- 342.35 g/mol
- Monoisotopic mass
- 342.15393443
Names & identifiers
- Preferred name
- 4,15-Dioxo-5,8,11,14-tetraazaoctadeca-2,16-diene-1,18-dioic acid
- IUPAC
- 4-[2-[2-[2-(3-carboxyprop-2-enoylamino)ethylamino]ethylamino]ethylamino]-4-oxobut-2-enoic acid
Names & synonyms
745017-27-0DTXSID908230084,15-Dioxo-5,8,11,14-tetraazaoctadeca-2,16-diene-1,18-dioic acid
Database identifiers
- CAS
745017-27-0- PubChem CID
- 71402002
- DTXSID
DTXSID90823008
Properties
Computed structural properties
- XLogP
- -7
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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