5-[(2-Methylpropan-2-yl)oxy]-2-[[5-[(2-methylpropan-2-yl)oxy]-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
Basic information
- CAS
64642-50-8- Standard SMILES
CC(C)(C)OC(=O)CCC(NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O- InChIKey
CDNVOFPUAAUOII-UHFFFAOYSA-N- Molecular formula
- C35H53N3O12
- Average molar mass
- 707.8 g/mol
- Monoisotopic mass
- 707.36292413
Names & identifiers
- Preferred name
- 5-[(2-Methylpropan-2-yl)oxy]-2-[[5-[(2-methylpropan-2-yl)oxy]-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
- IUPAC
- 5-[(2-methylpropan-2-yl)oxy]-2-[[5-[(2-methylpropan-2-yl)oxy]-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
Names & synonyms
64642-50-8NSC3384935-[(2-methylpropan-2-yl)oxy]-2-[[5-[(2-methylpropan-2-yl)oxy]-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acidDTXSID50319013NSC-3384935,8,11-Tris(3-tert-butoxy-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid
Database identifiers
- CAS
64642-50-8- PubChem CID
- 334121
- DTXSID
DTXSID50319013
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 24
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,180
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…