Phe Aminodiol isostere

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

Also Known As: Phe Aminodiol isostere|BDBM683|BMS-186318 analog 20|12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-((4-(3-(4-morpholinyl)-3-oxopropyl)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-|(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(3-(4-morpholinyl)-3-oxopropyl)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester|hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethy Ester|tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-4-{4-[3-(morpholin-4-yl)-3-oxopropyl]phenyl}butyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate|[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoamino]-2-hydroxy-4-[4-[3-(4-morpholinyl)-3-oxopropyl]xy)-carbonyl]phenyl]butyl]amino]-2-|[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-[4-[3-(4-morpholinyl)-3-oxopropyl]phenyl]butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl ester|12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-[[4-[3-(4-morpholinyl)-3-oxopropyl]phenyl]methyl]-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-|N-[(1S,2R)-3-[[(2R,3S)-3-[(tert-Butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-[4-(3-oxo-3-morpholinopropyl)benzyl]propyl]carbamic acid tert-butyl ester|tert-Butyl [(2S,3R)-4-{[(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-{4-[3-(morpholin-4-yl)-3-oxopropyl]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-morpholino-3-oxo-propyl)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-morpholin-4-yl-3-oxopropyl)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate

Molecular Formula	C37H56N4O8
Molecular Weight	684.4098 g/mol
LogP	3.3
Topological Polar Surface Area	159.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	19
Exact Mass	684.4098
Monoisotopic Mass	684.4098
Heavy Atoms	49
Complexity	995.0

Chemical Identifiers

CAS Number	175233-60-0
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)CCC(=O)N3CCOCC3)NC(=O)OC(C)(C)C)O)O
InChIKey	SGSVELRCCSUWEU-GASGPIRDSA-N