[(3'aS,4'R,7'aR)-6'-[methyl-[(2R)-1-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[2-(2-hydroxyethyloxy)ethenyl]benzoate

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[methyl-[(2R)-1-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[2-(2-hydroxyethyloxy)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[(1R)-1-benzyl-2-[[(1S)-4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]amino]-2-oxo-ethyl]-methyl-carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 4-[2-(2-hydroxyethoxy)vinyl]benzoate CAS Name: 4-[2-(2-hydroxyethoxy)ethenyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[[(2R)-1-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-oxomethyl]-4'-spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]yl] ester IUPAC Name: [(3'aS,4'R,7'aR)-6'-[[(2R)-1-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[2-(2-hydroxyethoxy)ethenyl]benzoate Traditional Name: 4-[2-(2-hydroxyethoxy)vinyl]benzoic acid [(3aS,4R,7aR)-6-[[(1R)-1-benzyl-2-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]amino]-2-keto-ethyl]-methyl-carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C46H54N2O11 MolecularWeight: 810.92776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CO)NC(=O)C(CC1=CC=CC=C1)N(C)C(=O)C2=CC3C(C(C2)OC(=O)C4=CC=C(C=C4)C=COCCO)OC5(O3)CC6=CC=CC=C6C5

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@@H](CC1=CC=CC=C1)N(C)C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=C(C=C4)C=COCCO)OC5(O3)CC6=CC=CC=C6C5

InChI

InChI=1S/C46H54N2O11/c1-45(2,3)58-40(51)19-18-36(29-50)47-42(52)37(24-31-10-6-5-7-11-31)48(4)43(53)35-25-38(56-44(54)32-16-14-30(15-17-32)20-22-55-23-21-49)41-39(26-35)57-46(59-41)27-33-12-8-9-13-34(33)28-46/h5-17,20,22,26,36-39,41,49-50H,18-19,21,23-25,27-29H2,1-4H3,(H,47,52)/t36-,37+,38+,39+,41-/m0/s1