Basic information
- Standard SMILES
CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NC(=O)OCc3ccccc3)CCc3ccccc32)cc1- InChIKey
RGZBJFXERBDJTB-MGBGTMOVSA-N- Molecular formula
- C39H43N5O5
- Average molar mass
- 661.8 g/mol
Names & identifiers
- Preferred name
- 3-Benzyloxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-1-[[2'-[[[(methylamino)carbonyl]amino]methyl][1,1'-biphenyl]-4-yl]methyl]-2-oxo-1H-benzazepin-3(R)-yl]-butanamide
- IUPAC
- benzyl N-[2-methyl-4-[[(3R)-1-[[4-[2-[(methylcarbamoylamino)methyl]phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-oxobutan-2-yl]carbamate
Names & synonyms
SCHEMBL8329662RGZBJFXERBDJTB-MGBGTMOVSA-N3-Benzyloxycarbonylamino-3-methyl- N-[2,3,4,5-tetrahydro-1-[[2'-[[[(methylamino)carbonyl]amino]methyl][1,1'-biphenyl]-4-yl]methyl]-2-oxo-1H-benzazepin-3(R)-yl]butanamide3-Benzyloxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-1-[[2'-[[ [(methylamino)carbonyl]amino]methyl][1,1'-biphenyl]-4-yl]methyl]-2-oxo-1H-benzazepin-3(R)-yl]-butanamide
Database identifiers
- PubChem CID
- 22877458
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
2 records
Compound notes
Loading…