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-bromo-2-pyridinyl)-
Basic information
- CAS
183856-54-4- Standard SMILES
O=C(Nc1ccc(Br)cn1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ccc(Br)cn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1- InChIKey
QMNGJVDHBPPPHI-VNXDFUDDSA-N- Molecular formula
- C45H40Br2N6O5
- Average molar mass
- 904.6 g/mol
- Monoisotopic mass
- 902.14269
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-bromo-2-pyridinyl)-
- IUPAC
- N-(5-bromo-2-pyridinyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide
Names & synonyms
183856-54-4CHEMBL431027Benzamide, 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-bromo-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-bromo-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-(5-bromo-2-pyridinyl)-DTXSID00171502BDBM50054164(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-bromo-2-pyridinyl)benzamide]3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(5-bromopyridin-2-yl)benzamide]5-bromo-2-{3-[4,7-dibenzyl-3-[3-(5-bromo-2-pyridylcarbamoyl)benzyl]-5,6-dihydroxy-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}pyridineN-(5-bromo-2-pyridyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-[(5-bromo-2-pyridyl)carbamoyl]phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide
Database identifiers
- CAS
183856-54-4- PubChem CID
- 464309
- DTXSID
DTXSID00171502- ChEMBL
CHEMBL431027- Nikkaji
- J778.895I
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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