Basic information
- CAS
63147-39-7- Standard SMILES
NC(CCCCNC(=O)OCCCCCOC(=O)NCCCCC(N)C(=O)O)C(=O)O- InChIKey
HTOHQKOTKZIYLU-UHFFFAOYSA-N- Molecular formula
- C19H36N4O8
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.25331412
Names & identifiers
- Preferred name
- 2-Amino-6-[5-[(5-amino-5-carboxypentyl)carbamoyloxy]pentoxycarbonylamino]hexanoic acid
- IUPAC
- 2-amino-6-[5-[(5-amino-5-carboxypentyl)carbamoyloxy]pentoxycarbonylamino]hexanoic acid
Names & synonyms
63147-39-7NSC297287DTXSID80315765NSC-2972872,22-Diamino-8,16-dioxo-9,15-dioxa-7,17-diazatricosane-1,23-dioic acid
Database identifiers
- CAS
63147-39-7- PubChem CID
- 326259
- DTXSID
DTXSID80315765
Properties
Computed structural properties
- XLogP
- -4.3
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 20
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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