Basic information
- CAS
173094-22-9- Standard SMILES
O=C(COCc1ccccc1)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)COCc1ccccc1- InChIKey
TXLQTXBSBZOEEL-ONFDFNSZSA-N- Molecular formula
- C50H50N4O8
- Average molar mass
- 835 g/mol
- Monoisotopic mass
- 834.36286457
Names & identifiers
- Preferred name
- L-Altritol, 1,2,5,6-tetradeoxy-1,6-diphenyl-2,5-bis((2-(((phenylmethoxy)acetyl)amino)benzoyl)amino)-
- IUPAC
- N-[(2S,3R,4S,5S)-3,4-dihydroxy-1,6-diphenyl-5-[[2-[(2-phenylmethoxyacetyl)amino]benzoyl]amino]hexan-2-yl]-2-[(2-phenylmethoxyacetyl)amino]benzamide
Names & synonyms
173094-22-9CHEMBL314004L-Altritol, 1,2,5,6-tetradeoxy-1,6-diphenyl-2,5-bis((2-(((phenylmethoxy)acetyl)amino)benzoyl)amino)-L-Altritol, 1,2,5,6-tetradeoxy-1,6-diphenyl-2,5-bis[[2-[[(phenylmethoxy)acetyl]amino]benzoyl]amino]-DTXSID70169517BDBM502856942,5-Bis{2-[2-(benzyloxy)acetamido]benzamido}-1,2,5,6-tetradeoxy-1,6-diphenyl-L-altritolN-[(1S,2R,3S,4S)-1-benzyl-4-[[2-[(2-benzyloxyacetyl)amino]benzoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]-2-[(2-benzyloxyacetyl)amino]benzamide
Database identifiers
- CAS
173094-22-9- PubChem CID
- 468433
- DTXSID
DTXSID70169517- ChEMBL
CHEMBL314004
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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