Phe Aminodiol isostere

tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-[3-(3-oxomorpholin-4-yl)propoxy]phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate

Also Known As: Phe Aminodiol isostere|BDBM693|BMS-186318 analog 30|12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(3-(3-oxo-4-morpholinyl)propoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-|12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-[[4-[3-(3-oxo-4-morpholinyl)propoxy]phenyl]methyl]-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-|tert-Butyl [(2S,3R)-4-{[(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-{4-[3-(3-oxomorpholin-4-yl)propoxy]phenyl}butyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate|tert-butyl N-[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-[4-[3-(3-oxomorpholin-4-yl)propoxy]phenyl]butyl]amino]-2-hydroxy-propyl]carbamate|tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-[3-(3-oxomorpholin-4-yl)propoxy]phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate|tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-4-{4-[3-(3-oxomorpholin-4-yl)propoxy]phenyl}butyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

Molecular Formula	C37H56N4O9
Molecular Weight	700.4047 g/mol
LogP	3.5
Topological Polar Surface Area	168.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	21
Exact Mass	700.4047
Monoisotopic Mass	700.4047
Heavy Atoms	50
Complexity	1020.0

Chemical Identifiers

CAS Number	175233-85-9
SMILES	CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=C(C=C2)OCCCN3CCOCC3=O)NC(=O)OC(C)(C)C)O)O
InChIKey	SJLKQIOVIJCRQA-GASGPIRDSA-N