Basic information
- CAS
31146-98-2- Standard SMILES
NC(CCCCNC(=O)CCCCCCCCC(=O)NCCCCC(N)C(=O)O)C(=O)O- InChIKey
REOKYDMLWRVBHJ-UHFFFAOYSA-N- Molecular formula
- C22H42N4O6
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.31043507
Names & identifiers
- Preferred name
- 2-Amino-6-[[10-[(5-amino-5-carboxypentyl)amino]-10-oxodecanoyl]amino]hexanoic acid
- IUPAC
- 2-amino-6-[[10-[(5-amino-5-carboxypentyl)amino]-10-oxodecanoyl]amino]hexanoic acid
Names & synonyms
NSC29728931146-98-2DTXSID40315766NSC-2972896,6'-[(1,10-Dioxodecane-1,10-diyl)bis(azanediyl)]bis(2-aminohexanoic acid)
Database identifiers
- CAS
31146-98-2- PubChem CID
- 326261
- DTXSID
DTXSID40315766
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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