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-(5-methyl-2-pyridinyl)-
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Basic information
- CAS
183854-98-0- Standard SMILES
Cc1ccc(NC(=O)c2cccc(CN3C(=O)N(Cc4cccc(C(=O)Nc5ccc(C)cn5)c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)c2)nc1- InChIKey
NLVWCIHYQHCPFO-RRHZFJGQSA-N- Molecular formula
- C47H46N6O5
- Average molar mass
- 774.9 g/mol
- Monoisotopic mass
- 774.35296859
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-(5-methyl-2-pyridinyl)-
- IUPAC
- 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-(5-methyl-2-pyridinyl)benzamide
- English name
- 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[[3-[(5-methylpyridin-2 -yl)carbamoyl]phenyl]methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-(5-meth ylpyridin-2-yl)benzamide
- Molecular formula
- C47H46N6O5
- Molecular weight
- 774.91
Names & synonyms
183854-98-0CHEMBL85653Benzamide, 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-(5-methyl-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-(5-methyl-2-pyridinyl)benzamide)3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[[3-[(5-methyl-2-pyridyl)carbamoyl]phenyl]methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-(5-methyl-2-pyridyl)benzamideBenzamide, 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-(5-methyl-2-pyridinyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[[3-[(5-methylpyridin-2-yl)carbamoyl]phenyl]methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-(5-methylpyridin-2-yl)benzamideDTXSID10171497BDBM50054156(4.alpha.,5.alpha.,6.beta.,7.beta.)-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-(5-methyl-2-pyridinyl)benzamide](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-(5-methyl-2-pyridinyl)benzamide](4r,5r,6,7)-3,3-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis-methylene)]bis[N-(5-methyl-2-pyridinyl)benzamide]
Show more names
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-(5-methyl-2-pyridinyl)- (9CI)3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[[3-[(5-methylpyridin-2 -yl)carbamoyl]phenyl]methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-(5-meth ylpyridin-2-yl)benzamide
2-{3-[4,7-dibenzyl-5,6-dihydroxy-3-[3-(5-methyl-2-pyridylcarbamoyl)benzyl]-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}-5-methylpyridine3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(5-methylpyridin-2-yl)benzamide]
Database identifiers
- CAS
183854-98-0- PubChem CID
- 464304
- DTXSID
DTXSID10171497- ChEMBL
CHEMBL85653- Nikkaji
- J778.890H
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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