Phe Aminodiol isostere

[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]methyl morpholine-4-carboxylate

Also Known As: Phe Aminodiol isostere|PdCl2[P(t-Bu)2Ph]2|BDBM686|BMS-186318 analog 23|[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]methyl morpholine-4-carboxylate|4-Morpholinecarboxylic acid, (4-(2-(((1,1-dimethylethoxy)carbonyl)amino)-4-((3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-3-hydroxybutyl)phenyl)methyl ester, (2R-(1(2S*,3R*),2R*,3S*))-|(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(((4-morpholinylcarbonyl)oxy)methyl)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester|hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl Ester|[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-[4-[[(4-morpholinylcarbonyl)oxy]methyl]phenyl]butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl ester|[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,10-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-[4-[[(4-morpholinyl-carbonyl)oxy]methyl]phenyl]butyl]amino]-2-|[4-[(2S,3R)-2-(tert-butoxycarbonylamino)-4-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-hydroxy-butyl]phenyl]methyl morpholine-4-carboxylate|{4-[(2S,3R)-2-[(tert-Butoxycarbonyl)amino]-4-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}amino)-3-hydroxybutyl]phenyl}methyl morpholine-4-carboxylate|4-Morpholinecarboxylic acid, [4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxybutyl]phenyl]methyl ester, [2R-[1(2S*,3R*),2R*,3S*]]-

Molecular Formula	C36H54N4O9
Molecular Weight	686.3891 g/mol
LogP	3.3
Topological Polar Surface Area	168.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	19
Exact Mass	686.3891
Monoisotopic Mass	686.3891
Heavy Atoms	49
Complexity	997.0

Chemical Identifiers

CAS Number	175233-61-1
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)COC(=O)N3CCOCC3)NC(=O)OC(C)(C)C)O)O
InChIKey	DDHUVWKEFAMGRB-SYQUUIDJSA-N