(3S,4R,5R)-2-[[3-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-[(2S)-1-(dimethylamino)-4-methyl-pentan-2-yl]amino]methyl]phenyl]methyl]-5-(hydroxymethyl)-4-[(1S)-1-oxidanylethyl]-N-[(3S,4R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,2-oxazolidine-3-carboxamide

Systemtic Name: (3S,4R,5R)-2-[[3-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-[(2S)-1-(dimethylamino)-4-methyl-pentan-2-yl]amino]methyl]phenyl]methyl]-5-(hydroxymethyl)-4-[(1S)-1-oxidanylethyl]-N-[(3S,4R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,2-oxazolidine-3-carboxamide Openeye Name: (3S,4R,5R)-2-[[3-[[(2-chloro-6-fluoro-phenyl)methyl-[(1S)-1-(dimethylaminomethyl)-3-methyl-butyl]amino]methyl]phenyl]methyl]-4-[(1S)-1-hydroxyethyl]-5-(hydroxymethyl)-N-[(2R,3S)-2,6,6-trimethylnorpinan-3-yl]isoxazolidine-3-carboxamide CAS Name: (3S,4R,5R)-2-[[3-[[(2-chloro-6-fluorophenyl)methyl-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenyl]methyl]-4-[(1S)-1-hydroxyethyl]-5-(hydroxymethyl)-N-[(3S,4R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-3-isoxazolidinecarboxamide IUPAC Name: (3S,4R,5R)-2-[[3-[[(2-chloro-6-fluorophenyl)methyl-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenyl]methyl]-4-[(1S)-1-hydroxyethyl]-5-(hydroxymethyl)-N-[(3S,4R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,2-oxazolidine-3-carboxamide Traditional Name: (3S,4R,5R)-2-[3-[[(2-chloro-6-fluoro-benzyl)-[(1S)-1-(dimethylaminomethyl)-3-methyl-butyl]amino]methyl]benzyl]-4-[(1S)-1-hydroxyethyl]-5-methylol-N-[(2R,3S)-2,6,6-trimethylnorpinan-3-yl]isoxazolidine-3-carboxamide Formula: C40H60ClFN4O4 MolecularWeight: 715.380203

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C2(C)C)CC1NC(=O)C3C(C(ON3CC4=CC(=CC=C4)CN(CC5=C(C=CC=C5Cl)F)C(CC(C)C)CN(C)C)CO)C(C)O

Isomeric SMILES

C[C@H]1[C@H](CC2CC1C2(C)C)NC(=O)[C@@H]3[C@@H]([C@@H](ON3CC4=CC(=CC=C4)CN(CC5=C(C=CC=C5Cl)F)[C@@H](CC(C)C)CN(C)C)CO)[C@H](C)O

InChI

InChI=1S/C40H60ClFN4O4/c1-24(2)15-30(21-44(7)8)45(22-31-33(41)13-10-14-34(31)42)19-27-11-9-12-28(16-27)20-46-38(37(26(4)48)36(23-47)50-46)39(49)43-35-18-29-17-32(25(35)3)40(29,5)6/h9-14,16,24-26,29-30,32,35-38,47-48H,15,17-23H2,1-8H3,(H,43,49)/t25-,26+,29?,30+,32?,35+,36+,37-,38+/m1/s1