DMPC Cyclic Urea 9

(4R,5S,6S,7R)-4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-one

Also Known As: DMPC Cyclic Urea 9|BDBM29|1,3-Diazepin-2-one deriv.|(4R,5S,6S,7R)-4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-one|2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-|CU|(4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-5,6-dihydroxy-1,3-di-n-butyl-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one|4alpha,7beta-Dibenzyl-5alpha,6beta-dihydroxy-1,3-dibutylhexahydro-2H-1,3-diazepin-2-one|(4R)-1,3-Dibutyl-4alpha,7beta-dibenzyl-5alpha,6beta-dihydroxyhexahydro-2H-1,3-diazepine-2-one|[4R-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-Hexahydro-5,6-dihydroxy-1,3-di-n-butyl-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one|2H-1,3-Diazepin-2-one,1,3-dibutylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-|2H-1,3-Diazepin-2-one,1,3-dibutylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-,(4R,5S,6S,7R)

Molecular Formula	C27H38N2O3
Molecular Weight	438.28824 g/mol
LogP	4.8
Topological Polar Surface Area	64.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	10
Exact Mass	438.28824
Monoisotopic Mass	438.28824
Heavy Atoms	32
Complexity	499.0

Chemical Identifiers

CAS Number	153223-22-4
SMILES	CCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3
InChIKey	USVBEQBEZXWMMT-XPGKHFPBSA-N