Basic information
- Standard SMILES
Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C3CCN(CC(=O)OCC(=O)N(C)C)CC3)CC2)cc(C)c1O- InChIKey
LAQNUCJOTOSHIW-PSXMRANNSA-N- Molecular formula
- C42H58N6O8
- Average molar mass
- 774.9 g/mol
- Monoisotopic mass
- 774.43161283
Names & identifiers
- Preferred name
- (R)-2-(1'-dimethylcarbamoylmethoxycarbonylmethyl-4,4'-bipiperidinyl-1-yl)-1-(4-hydroxy-3,5-dimethyl-benzyl)-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate
- IUPAC
- [(2R)-1-[4-[1-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]piperidin-4-yl]piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL2087877LAQNUCJOTOSHIW-PSXMRANNSA-N(R)-2-(1'-dimethylcarbamoylmethoxycarbonylmethyl-4,4'-bipiperidinyl-1-yl)-1-(4-hydroxy-3,5-dimethyl-benzyl)-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 16123785
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,350
Related reactions
2 records
Compound notes
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