2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(2-naphthalenylmethyl)-1,3-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Basic information
- CAS
167826-61-1- Standard SMILES
O=C1N(Cc2ccccc2)[C@H](Cc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3ccccc3c2)N1Cc1ccccc1- InChIKey
AUTHLCQFZJFGMT-WESAGZJESA-N- Molecular formula
- C41H38N2O3
- Average molar mass
- 606.7 g/mol
- Monoisotopic mass
- 606.28824308
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(2-naphthalenylmethyl)-1,3-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
- English name
- (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(naphthalen-2-ylmethyl )-1,3-diazepan-2-one
- Molecular formula
- C41H38N2O3
- Molecular weight
- 606.75
Names & synonyms
167826-61-12H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(2-naphthalenylmethyl)-1,3-bis(phenylmethyl)-, (4R,5S,6S,7R)-(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(phenylmethyl)-4,7-bis(beta-naphthylmethyl)-2H-1,3-diazepin-2-oneBDBM7013CHEMBL262387DTXSID30168400(4R,5S,6S,7R)-1,3-DIBENZYL-5,6-DIHYDROXY-4,7-BIS(NAPHTHALEN-2-YLMETHYL )-1,3-DIAZEPAN-2-ONE(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis[(naphthalen-2-yl)methyl]-1,3-diazepan-2-oneCyclic Urea Based HIV-1 Protease Inhibitor 19(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(2-naphthylmethyl)-1,3-diazepan-2-one(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(phenylmethyl)-4,7-bis(.beta.-naphthylmethyl)-2H-1,3-diazepin-2-one
Database identifiers
- CAS
167826-61-1- PubChem CID
- 462322
- DTXSID
DTXSID30168400- ChEMBL
CHEMBL262387- Nikkaji
- J1.003.684D
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 887
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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