Basic information
- CAS
173094-18-3- Standard SMILES
O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
RYQBENLDSXPMRD-LNYMGSRYSA-N- Molecular formula
- C48H46N4O8
- Average molar mass
- 806.9 g/mol
- Monoisotopic mass
- 806.33156444
Names & identifiers
- Preferred name
- L-Altritol, 1,2,5,6-tetradeoxy-1,6-diphenyl-2,5-bis((2-(((phenylmethoxy)carbonyl)amino)benzoyl)amino)-
- IUPAC
- benzyl N-[2-[[(2S,3R,4S,5S)-3,4-dihydroxy-1,6-diphenyl-5-[[2-(phenylmethoxycarbonylamino)benzoyl]amino]hexan-2-yl]carbamoyl]phenyl]carbamate
Names & synonyms
CHEMBL264622173094-18-3L-Altritol, 1,2,5,6-tetradeoxy-1,6-diphenyl-2,5-bis((2-(((phenylmethoxy)carbonyl)amino)benzoyl)amino)-L-Altritol, 1,2,5,6-tetradeoxy-1,6-diphenyl-2,5-bis[[2-[[(phenylmethoxy)carbonyl]amino]benzoyl]amino]-BDBM50285691benzyl N-[2-[[(1S,2R,3S,4S)-1-benzyl-4-[[2-(benzyloxycarbonylamino)benzoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]carbamoyl]phenyl]carbamate
Database identifiers
- CAS
173094-18-3- PubChem CID
- 468428
- ChEMBL
CHEMBL264622
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…