(2S,3S)-1-[[3-[3-(dimethylamino)-5-[[(2S)-1-(dimethylamino)-3-phenyl-propan-2-yl]carbamoyl]phenyl]-2-methoxy-phenyl]methyl]-3-oxidanyl-N-[(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S,3S)-1-[[3-[3-(dimethylamino)-5-[[(2S)-1-(dimethylamino)-3-phenyl-propan-2-yl]carbamoyl]phenyl]-2-methoxy-phenyl]methyl]-3-oxidanyl-N-[(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine-2-carboxamide Openeye Name: (2S,3S)-1-[[3-[3-[[(1S)-1-benzyl-2-(dimethylamino)ethyl]carbamoyl]-5-(dimethylamino)phenyl]-2-methoxy-phenyl]methyl]-3-hydroxy-N-[(1S,2S,3S,5R)-2,6,6-trimethylnorpinan-3-yl]pyrrolidine-2-carboxamide CAS Name: (2S,3S)-1-[[3-[3-(dimethylamino)-5-[[[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]amino]-oxomethyl]phenyl]-2-methoxyphenyl]methyl]-3-hydroxy-N-[(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,3S)-1-[[3-[3-(dimethylamino)-5-[[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]phenyl]-2-methoxyphenyl]methyl]-3-hydroxy-N-[(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine-2-carboxamide Traditional Name: (2S,3S)-1-[3-[3-[[(1S)-1-benzyl-2-(dimethylamino)ethyl]carbamoyl]-5-(dimethylamino)phenyl]-2-methoxy-benzyl]-3-hydroxy-N-[(1S,2S,3S,5R)-2,6,6-trimethylnorpinan-3-yl]pyrrolidine-2-carboxamide Formula: C43H59N5O4 MolecularWeight: 709.95966

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C2(C)C)CC1NC(=O)C3C(CCN3CC4=CC=CC(=C4OC)C5=CC(=CC(=C5)N(C)C)C(=O)NC(CC6=CC=CC=C6)CN(C)C)O

Isomeric SMILES

C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1NC(=O)[C@@H]3[C@H](CCN3CC4=CC=CC(=C4OC)C5=CC(=CC(=C5)N(C)C)C(=O)N[C@@H](CC6=CC=CC=C6)CN(C)C)O

InChI

InChI=1S/C43H59N5O4/c1-27-36-23-32(43(36,2)3)24-37(27)45-42(51)39-38(49)17-18-48(39)25-29-15-12-16-35(40(29)52-8)30-20-31(22-34(21-30)47(6)7)41(50)44-33(26-46(4)5)19-28-13-10-9-11-14-28/h9-16,20-22,27,32-33,36-39,49H,17-19,23-26H2,1-8H3,(H,44,50)(H,45,51)/t27-,32+,33-,36-,37-,38-,39-/m0/s1