{[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetylamino]-methyl}-[2-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-4-phenyl-butyl]-phosphinic acid
Basic information
- CAS
158039-25-9- Standard SMILES
CC(C)CC(NC(=O)C(CCc1ccccc1)CP(=O)(O)CNC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1- InChIKey
GBAPWUJOZAJNDZ-UHFFFAOYSA-N- Molecular formula
- C34H39N4O7P
- Average molar mass
- 646.7 g/mol
- Monoisotopic mass
- 646.25563659
Names & identifiers
- Preferred name
- {[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetylamino]-methyl}-[2-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-4-phenyl-butyl]-phosphinic acid
- IUPAC
- [2-[(1-anilino-4-methyl-1-oxopentan-2-yl)carbamoyl]-4-phenylbutyl]-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phosphinic acid
Names & synonyms
CHEMBL276960DTXSID501099784BDBM50282549{[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetylamino]-methyl}-[2-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-4-phenyl-butyl]-phosphinic acid158039-25-9Phosphinic acid, [[[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]amino]methyl][2-[[[3-methyl-1-[(phenylamino)carbonyl]butyl]amino]carbonyl]-4-phenylbutyl]-
Database identifiers
- CAS
158039-25-9- PubChem CID
- 44273682
- DTXSID
DTXSID501099784- ChEMBL
CHEMBL276960
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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