Phe Aminodiol isostere

tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-quinolin-6-ylbutan-2-yl]carbamate

Also Known As: Phe Aminodiol isostere|BDBM666|BMS-186318 analog 3|(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-2-hydroxy-1-(6-quinolinylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester|12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-(phenylmethyl)-9-(2-quinolinylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-(1S-(1R*,2S*(2S*,3R*)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-2-hydroxy-1-(6-quinolinylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester|[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(6-quinolinylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl ester|tert-butyl N-[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-(6-quinolyl)butyl]amino]-2-hydroxy-propyl]carbamate|12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-(phenylmethyl)-9-(2-quinolinylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(6-quinolinylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl ester|tert-Butyl hydrogen [(2S,3R)-4-{[(2R,3S)-3-{[tert-butoxy(hydroxy)methylidene]amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-(quinolin-6-yl)butan-2-yl]carbonimidate|tert-Butyl hydrogen {4-[(3-{[tert-butoxy(hydroxy)methylidene]amino}-2-hydroxy-4-phenylbutyl)amino]-3-hydroxy-1-(quinolin-6-yl)butan-2-yl}carbonimidate|tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-quinolin-6-ylbutan-2-yl]carbamate|tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-4-(quinolin-6-yl)butyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

Molecular Formula	C33H46N4O6
Molecular Weight	594.34174 g/mol
LogP	4.3
Topological Polar Surface Area	142.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	16
Exact Mass	594.34174
Monoisotopic Mass	594.34174
Heavy Atoms	43
Complexity	853.0

Chemical Identifiers

CAS Number	175233-59-7
SMILES	CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC3=C(C=C2)N=CC=C3)NC(=O)OC(C)(C)C)O)O
InChIKey	SCFUZBGSNDDHBF-QUAHOIDUSA-N