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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-(1-methylethyl)-

HCID 464291
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Basic information

CAS
183860-42-6
Standard SMILES
CC(C)NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NC(C)C)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1
InChIKey
YYTCBCZEWNZXGE-RNATXAOGSA-N
Molecular formula
C41H48N4O5
Average molar mass
676.8 g/mol
Monoisotopic mass
676.36247064

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-(1-methylethyl)-
IUPAC
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-propan-2-ylbenzamide

Names & synonyms

183860-42-6CHEMBL86441Benzamide, 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-(1-methylethyl)-(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-(1-methylethyl)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-(1-methylethyl)-DTXSID80171505BDBM50054167(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-(1-methylethyl)benzamide]1N-isopropyl-3-[4,7-dibenzyl-5,6-dihydroxy-3-(3-isopropylcarbamoylbenzyl)-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-(propan-2-yl)benzamide]3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[[3-(isopropylcarbamoyl)phenyl]methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-isopropyl-benzamide

Database identifiers

CAS
183860-42-6
PubChem CID
464291
DTXSID
DTXSID80171505
ChEMBL
CHEMBL86441
Nikkaji
J778.877K

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
122 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
50
Formal charge
0
Complexity
1,010

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