[(3S)-7,7-bis(chloranyl)-2,2-dimethyl-1-[(2S)-3-methyl-3-oxidanyl-1-oxidanylidene-1-prop-2-enoxy-butan-2-yl]oxy-1-oxidanylidene-octan-3-yl] 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate

Systemtic Name: [(3S)-7,7-bis(chloranyl)-2,2-dimethyl-1-[(2S)-3-methyl-3-oxidanyl-1-oxidanylidene-1-prop-2-enoxy-butan-2-yl]oxy-1-oxidanylidene-octan-3-yl] 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate Openeye Name: [(1S)-1-[2-[(1S)-1-allyloxycarbonyl-2-hydroxy-2-methyl-propoxy]-1,1-dimethyl-2-oxo-ethyl]-5,5-dichloro-hexyl] 2-[(1S)-1-(tert-butoxycarbonylamino)-2-methyl-propyl]thiazole-4-carboxylate CAS Name: 2-[(1S)-2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-4-thiazolecarboxylic acid [(3S)-7,7-dichloro-1-[(2S)-3-hydroxy-3-methyl-1-oxo-1-prop-2-enoxybutan-2-yl]oxy-2,2-dimethyl-1-oxooctan-3-yl] ester IUPAC Name: [(3S)-7,7-dichloro-1-[(2S)-3-hydroxy-3-methyl-1-oxo-1-prop-2-enoxybutan-2-yl]oxy-2,2-dimethyl-1-oxooctan-3-yl] 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(1S)-1-(tert-butoxycarbonylamino)-2-methyl-propyl]thiazole-4-carboxylic acid [(1S)-1-[2-[(1S)-1-allyloxycarbonyl-2-hydroxy-2-methyl-propoxy]-2-keto-1,1-dimethyl-ethyl]-5,5-dichloro-hexyl] ester Formula: C31H48Cl2N2O9S MolecularWeight: 695.69182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC(=CS1)C(=O)OC(CCCC(C)(Cl)Cl)C(C)(C)C(=O)OC(C(=O)OCC=C)C(C)(C)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C1=NC(=CS1)C(=O)O[C@@H](CCCC(C)(Cl)Cl)C(C)(C)C(=O)O[C@H](C(=O)OCC=C)C(C)(C)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H48Cl2N2O9S/c1-12-16-41-25(37)22(30(9,10)40)43-26(38)29(7,8)20(14-13-15-31(11,32)33)42-24(36)19-17-45-23(34-19)21(18(2)3)35-27(39)44-28(4,5)6/h12,17-18,20-22,40H,1,13-16H2,2-11H3,(H,35,39)/t20-,21-,22+/m0/s1