Lfa-878

[(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

Also Known As: 1xdg|LFA878|Lfa 878|LFA-878|(+)-LFA-878|(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE|(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-((4R,6R)-tetrahydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-4-(2-(methylamino)-2-oxoethyl)-2-oxo-2H-1,3-oxazin-6-yl)ethyl)-1-naphthalenyl (2S)-2-methylbutanoate|(1S,3R,7S,8S,8aR)-8-(2-((4R,6R)-3-((4-Hydroxy-3-methoxyphenyl)methyl)-4-((methylcarbamoyl)methyl)-2-oxo-1,3-oxazinan-6-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate|Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((4R,6R)-tetrahydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-4-(2-(methylamino)-2-oxoethyl)-2-oxo-2H-1,3-oxazin-6-yl)ethyl)-1-naphthalenyl ester, (2S)-|AB8|,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE|(1S,3R,7S,8S,8aR)-8-(2-{(4R,6R)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate|(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3|(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3 ,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE|(S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[(1R,5R)-3-(4-hydroxy-3-methoxy-benzyl)-4-methylcarbamoylmethyl-2-oxo-[1,3]oxazinan-6-yl]-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester|(S)-2-METHYL-BUTYRIC ACID (1S,3R,7S,8S,8AR)-8-{2-[(4R,6R)-3-(4-HYDROXY-3-METHOXY-BENZYL)-4-METHYLCARBAMOYLMETHYL-2-OXO-[1,3]OXAZINAN-6-YL]-ETHYL}-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRO-NAPHTHALEN-1-YL ESTER|[(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

Molecular Formula	C34H48N2O7
Molecular Weight	596.3461 g/mol
LogP	5.4
Topological Polar Surface Area	114.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	12
Exact Mass	596.3461
Monoisotopic Mass	596.3461
Heavy Atoms	43
Complexity	1040.0

Chemical Identifiers

CAS Number	288323-75-1
SMILES	CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](N(C(=O)O3)CC4=CC(=C(C=C4)O)OC)CC(=O)NC)C
InChIKey	XGCZRGJUCNQVCO-XFAJEYMZSA-N