Basic information
- CAS
183854-15-1- Standard SMILES
O=C(Nc1ccncc1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ccncc4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1- InChIKey
QERMHAOACKVOPG-GLGKVNTQSA-N- Molecular formula
- C45H42N6O5
- Average molar mass
- 746.9 g/mol
- Monoisotopic mass
- 746.32166846
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-pyridinyl-
- IUPAC
- 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyridin-4-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyridin-4-ylbenzamide
Names & synonyms
183854-15-1CHEMBL405189Benzamide, 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-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-pyridinylbenzamide)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-pyridinyl-DTXSID50171491BDBM50054158(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-pyridinylbenzamide]3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(pyridin-4-yl)benzamide]3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(4-pyridylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(4-pyridyl)benzamide4-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(4-pyridylcarbamoyl)benzyl]-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}pyridine
Database identifiers
- CAS
183854-15-1- PubChem CID
- 464299
- DTXSID
DTXSID50171491- ChEMBL
CHEMBL405189- Nikkaji
- J778.885A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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