Basic information
- CAS
183860-43-7- Standard SMILES
CCCCNC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCCCC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1- InChIKey
ZBAREFVKRAICLD-WESAGZJESA-N- Molecular formula
- C43H52N4O5
- Average molar mass
- 704.9 g/mol
- Monoisotopic mass
- 704.39377077
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-butyl-
- IUPAC
- N-butyl-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(butylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide
Names & synonyms
183860-43-7CHEMBL86913Benzamide, 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-butyl-(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-butylbenzamide)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-butyl-DTXSID40171506BDBM50054160N-butyl-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(butylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]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-butylbenzamide]1N-butyl-3-[4,7-dibenzyl-3-(3-butylcarbamoylbenzyl)-5,6-dihydroxy-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]benzamide3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis(N-butylbenzamide)
Database identifiers
- CAS
183860-43-7
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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