9,14,18-Tris(1,1-dimethylethyl) 25-amino-2,2-dimethyl-4-oxo-3-oxa-5,9,14,18,22-pentaazapentacosane-9,14,18-tricarboxylate
Basic information
- CAS
128550-07-2- Standard SMILES
CC(C)(C)OC(=O)NCCCN(CCCCN(CCCN(CCCNCCCN)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
CMXIHLHAMDWECG-UHFFFAOYSA-N- Molecular formula
- C36H72N6O8
- Average molar mass
- 717 g/mol
- Monoisotopic mass
- 716.54116328
Names & identifiers
- Preferred name
- 9,14,18-Tris(1,1-dimethylethyl) 25-amino-2,2-dimethyl-4-oxo-3-oxa-5,9,14,18,22-pentaazapentacosane-9,14,18-tricarboxylate
- IUPAC
- tert-butyl N-[3-(3-aminopropylamino)propyl]-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
Names & synonyms
DTXSID601104699128550-07-29,14,18-Tris(1,1-dimethylethyl) 25-amino-2,2-dimethyl-4-oxo-3-oxa-5,9,14,18,22-pentaazapentacosane-9,14,18-tricarboxylate
Database identifiers
- CAS
128550-07-2- PubChem CID
- 14701448
- DTXSID
DTXSID601104699
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 28
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 999
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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