Benzamide, 3,3'-((tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N,N-dimethyl-, (4R-(4alpha,5alpha,6beta,7beta))-

Substructure search Find similar structures

Basic information

CAS: 152928-66-0
Standard SMILES: CN(C)C(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)N(C)C)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1
InChIKey: UERFODOOUFFMRK-NWJWHWDBSA-N
Molecular formula: C39H44N4O5
Average molar mass: 648.8 g/mol
Monoisotopic mass: 648.33117052

Names & identifiers

Preferred name: Benzamide, 3,3'-((tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N,N-dimethyl-, (4R-(4alpha,5alpha,6beta,7beta))-
IUPAC: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]-N,N-dimethylbenzamide

Names & synonyms

152928-66-0Benzamide, 3,3'-((tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N,N-dimethyl-, (4R-(4alpha,5alpha,6beta,7beta))-(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,N'-dimethylbenzamide)DTXSID60165164(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,N'-dimethylbenzamide]3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis(N,N-dimethylbenzamide)3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]-N,N-dimethyl-benzamideBenzamide, 3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N,N-dimethyl-, [4R-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-

Database identifiers

CAS: 152928-66-0
PubChem CID: 464314

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 105 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 48
Formal charge: 0
Complexity: 977

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…