Basic information
- CAS
144162-61-8- Standard SMILES
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C)C(=O)C(F)(F)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C- InChIKey
MVMIHVMURAJADX-YDPTYEFTSA-N- Molecular formula
- C38H58F2N8O5
- Average molar mass
- 744.9 g/mol
- Monoisotopic mass
- 744.4498233
Names & identifiers
- Preferred name
- 2,5,10,13-Tetraazatetradecanediamide, 7,7-difluoro-N,N'-dimethyl-3,12-bis(1-methylethyl)-6,9-bis(2-methylpropyl)-4,8,11-trioxo-N,N'-bis(2-pyridinylmethyl)-, (3S-(3R*,6R*,9R*,12R*))-
- IUPAC
- (2S)-N-[(4S,7S)-6,6-difluoro-2,9-dimethyl-7-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-5-oxodecan-4-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
Names & synonyms
144162-61-82,5,10,13-Tetraazatetradecanediamide, 7,7-difluoro-N,N'-dimethyl-3,12-bis(1-methylethyl)-6,9-bis(2-methylpropyl)-4,8,11-trioxo-N,N'-bis(2-pyridinylmethyl)-, (3S-(3R*,6R*,9R*,12R*))-2,5,10,13-Tetraazatetradecanediamide, 7,7-difluoro-N,N'-dimethyl-3,12-bis(1-methylethyl)-6,9-bis(2-methylpropyl)-4,8,11-trioxo-N,N'-bis(2-pyridinylmethyl)-, [3S-(3R*,6R*,9R*,12R*)]-DTXSID70162629(2S)-N-[(1S,4S)-3,3-difluoro-1-isobutyl-6-methyl-4-[[(2S)-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanoyl]amino]-2-oxo-heptyl]-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanamide(2S,2'S)-N,N'-[(4S,7S)-5,5-Difluoro-2,9-dimethyl-6-oxodecane-4,7-diyl]bis[3-methyl-2-({methyl[(pyridin-2-yl)methyl]carbamoyl}amino)butanamide]
Database identifiers
- CAS
144162-61-8- PubChem CID
- 464752
- DTXSID
DTXSID70162629
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…