Basic information
- CAS
183855-10-9- Standard SMILES
Cc1cc(C)nc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(C(=O)Nc5cc(C)cc(C)n5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)c1- InChIKey
LFGJUVNTHXGQFQ-KTKZDIBBSA-N- Molecular formula
- C49H50N6O5
- Average molar mass
- 803 g/mol
- Monoisotopic mass
- 802.38426872
Names & identifiers
- Preferred name
- Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-(4,6-dimethyl-2-pyridinyl)-
- IUPAC
- 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide
Names & synonyms
183855-10-9CHEMBL408834Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-(4,6-dimethyl-2-pyridinyl)-(4aalpha,5alpha,6beta,7beta)-3,3'-(Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)bis(N-(4,6-dimethyl-2-pyridinyl)benzamide)Benzamide, 3,3'-[[(4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-(4,6-dimethyl-2-pyridinyl)-DTXSID80171500BDBM50054178(4a.alpha.,5.alpha.,6.beta.,7.beta.)-3,3'-[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)bis[N-(4,6-dimethyl-2-pyridinyl)benzamide]2-{3-[4,7-dibenzyl-3-[3-(4,6-dimethyl-2-pyridylcarbamoyl)benzyl]-5,6-dihydroxy-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}-4,6-dimethylpyridine3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(4,6-dimethylpyridin-2-yl)benzamide]3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-[(4,6-dimethyl-2-pyridyl)carbamoyl]phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]-N-(4,6-dimethyl-2-pyridyl)benzamide
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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