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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-(cyclopropylmethyl)-

HCID 464295
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Basic information

CAS
183860-45-9
Standard SMILES
O=C(NCC1CC1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCC4CC4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1
InChIKey
VJCBVESGQNUVSA-WESAGZJESA-N
Molecular formula
C43H48N4O5
Average molar mass
700.9 g/mol
Monoisotopic mass
700.36247064

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-(cyclopropylmethyl)-
IUPAC
N-(cyclopropylmethyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(cyclopropylmethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide

Names & synonyms

183860-45-9CHEMBL316445Benzamide, 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-(cyclopropylmethyl)-(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-(cyclopropylmethyl)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-(cyclopropylmethyl)-DTXSID60171508BDBM50073087N-(cyclopropylmethyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(cyclopropylmethylcarbamoyl)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-(cyclopropylmethyl)benzamide]1N-cyclopropylmethyl-3-[4,7-dibenzyl-3-(3-cyclopropylmethylcarbamoylbenzyl)-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-(cyclopropylmethyl)benzamide]

Database identifiers

CAS
183860-45-9
PubChem CID
464295
DTXSID
DTXSID60171508
ChEMBL
CHEMBL316445
Nikkaji
J778.881I

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
122 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
14
Heavy atoms
52
Formal charge
0
Complexity
1,090

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