Basic information
- CAS
183854-16-2- Standard SMILES
O=C(Nc1ncccn1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ncccn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1- InChIKey
KWIOWBKKSAFPTL-RNATXAOGSA-N- Molecular formula
- C43H40N8O5
- Average molar mass
- 748.8 g/mol
- Monoisotopic mass
- 748.31216641
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-2-pyrimidinyl-
- IUPAC
- 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyrimidin-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyrimidin-2-ylbenzamide
Names & synonyms
183854-16-2CHEMBL431017Benzamide, 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-2-pyrimidinyl-(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-2-pyrimidinylbenzamide)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-2-pyrimidinyl-DTXSID10171492BDBM50054165(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-2-pyrimidinylbenzamide]2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(2-pyrimidinylcarbamoyl)benzyl]-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}pyrimidine3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(pyrimidin-2-yl)benzamide]3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyrimidin-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyrimidin-2-yl-benzamide
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- 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
Loading…