[(1E,3R,4S,6E)-8-[[(2R)-3-(4-methoxyphenyl)-1-oxidanylidene-1-[2,2,2-tris(chloranyl)ethoxy]propan-2-yl]amino]-3-methyl-8-oxidanylidene-1-phenyl-octa-1,6-dien-4-yl] (2S)-4-methyl-2-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-pentanoate

Systemtic Name: [(1E,3R,4S,6E)-8-[[(2R)-3-(4-methoxyphenyl)-1-oxidanylidene-1-[2,2,2-tris(chloranyl)ethoxy]propan-2-yl]amino]-3-methyl-8-oxidanylidene-1-phenyl-octa-1,6-dien-4-yl] (2S)-4-methyl-2-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-pentanoate Openeye Name: [(E,1S)-5-[[(1R)-1-[(4-methoxyphenyl)methyl]-2-oxo-2-(2,2,2-trichloroethoxy)ethyl]amino]-1-[(E,1R)-1-methyl-3-phenyl-allyl]-5-oxo-pent-3-enyl] (2S)-2-[(2R)-3-(tert-butoxycarbonylamino)-2-methyl-propanoyl]oxy-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[(2R)-2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]pentanoic acid [(1E,3R,4S,6E)-8-[[(2R)-3-(4-methoxyphenyl)-1-oxo-1-(2,2,2-trichloroethoxy)propan-2-yl]amino]-3-methyl-8-oxo-1-phenylocta-1,6-dien-4-yl] ester IUPAC Name: [(1E,3R,4S,6E)-8-[[(2R)-3-(4-methoxyphenyl)-1-oxo-1-(2,2,2-trichloroethoxy)propan-2-yl]amino]-3-methyl-8-oxo-1-phenylocta-1,6-dien-4-yl] (2S)-4-methyl-2-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxypentanoate Traditional Name: (2S)-2-[(2R)-3-(tert-butoxycarbonylamino)-2-methyl-propanoyl]oxy-4-methyl-valeric acid [(E,1S)-5-keto-5-[[(1R)-2-keto-1-p-anisyl-2-(2,2,2-trichloroethoxy)ethyl]amino]-1-[(E,1R)-1-methyl-3-phenyl-allyl]pent-3-enyl] ester Formula: C42H55Cl3N2O10 MolecularWeight: 854.2525

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(CC=CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)OCC(Cl)(Cl)Cl)C(C)C=CC2=CC=CC=C2)OC(=O)C(C)CNC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](CNC(=O)OC(C)(C)C)C(=O)O[C@@H](CC(C)C)C(=O)O[C@@H](C/C=C/C(=O)N[C@H](CC1=CC=C(C=C1)OC)C(=O)OCC(Cl)(Cl)Cl)[C@H](C)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C42H55Cl3N2O10/c1-27(2)23-35(56-37(49)29(4)25-46-40(52)57-41(5,6)7)39(51)55-34(28(3)17-18-30-13-10-9-11-14-30)15-12-16-36(48)47-33(38(50)54-26-42(43,44)45)24-31-19-21-32(53-8)22-20-31/h9-14,16-22,27-29,33-35H,15,23-26H2,1-8H3,(H,46,52)(H,47,48)/b16-12+,18-17+/t28-,29-,33-,34+,35+/m1/s1