2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((3-(hydroxymethyl)phenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Basic information
- CAS
153183-11-0- Standard SMILES
O=C1N(Cc2cccc(CO)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1- InChIKey
VPFBCSZFKQTTKA-WZJLIZBTSA-N- Molecular formula
- C35H38N2O5
- Average molar mass
- 566.7 g/mol
- Monoisotopic mass
- 566.27807232
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((3-(hydroxymethyl)phenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[3-(hydroxymethyl)phenyl]methyl]-1,3-diazepan-2-one
Names & synonyms
XM321XM 321153183-11-0CHEMBL285417(4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-5,6-dihydroxy-1,3-bis((3-hydroxymethyl)benzyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((3-(hydroxymethyl)phenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[3-(hydroxymethyl)phenyl]methyl]-1,3-diazepan-2-one(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis{[3-(hydroxymethyl)phenyl]methyl}-1,3-diazepan-2-one2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis[[3-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-Cyclic Urea deriv. 9vBDBM1730DTXSID60165265
Show more names
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(hydroxymethyl)phenyl]methyl})-1,3-diazepan-2-one[4R-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-Hexahydro-5,6-dihydroxy-1,3-bis[(3-hydroxymethyl)benzyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 751
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Compound notes
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