Basic information
- CAS
162541-14-2- Standard SMILES
CN(C)C(=O)OCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1- InChIKey
HGZGSIWZDXBMDK-VZNYXHRGSA-N- Molecular formula
- C35H54N4O9
- Average molar mass
- 674.8 g/mol
- Monoisotopic mass
- 674.38907931
Names & identifiers
- Preferred name
- 2-[4-[(2S,3R)-2-(tert-butoxycarbonylamino)-4-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-hydroxy-butyl]phenoxy]ethyl N,N-dimethylcarbamate
- IUPAC
- 2-[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]ethyl N,N-dimethylcarbamate
Names & synonyms
BDBM679CHEMBL301046DTXSID00936714[1S-[1R*,2S*(2S*,3R*)]]-[3-[[4-[4-[[2-[[(Dimethylamino)carbonyl]oxy]ethoxy]phenyl]-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxybutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid[1S-[1R*,2S*(2S*,3R*)]]-[3-[[4-[4-[2-[[(Dimethylamino)-carbonyl]oxy]ethoxy]phenyl]-3-[[(1,1-dimethylethoxy)-carbonyl]amino]-2-hydroxybutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid2-[4-[(2S,3R)-2-(tert-butoxycarbonylamino)-4-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-hydroxy-butyl]phenoxy]ethyl N,N-dimethylcarbamatetert-Butyl hydrogen (4-{[3-{[tert-butoxy(hydroxy)methylidene]amino}-4-(4-{2-[(dimethylcarbamoyl)oxy]ethoxy}phenyl)-2-hydroxybutyl]amino}-3-hydroxy-1-phenylbutan-2-yl)carbonimidatetert-Butyl hydrogen [(2S,3R)-4-{[(2R,3S)-3-{[tert-butoxy(hydroxy)methylidene]amino}-4-(4-{2-[(dimethylcarbamoyl)oxy]ethoxy}phenyl)-2-hydroxybutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbonimidatetert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-{2-[(dimethylcarbamoyl)oxy]ethoxy}phenyl)-2-hydroxybutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 21
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 955
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…