[(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]hepta-4,6-dienyl] 10-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]decanoate

Systemtic Name: [(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]hepta-4,6-dienyl] 10-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]decanoate Openeye Name: [(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]hepta-4,6-dienyl] 10-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]decanoate CAS Name: 10-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]decanoic acid [(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]hepta-4,6-dienyl] ester IUPAC Name: [(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]hepta-4,6-dienyl] 10-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]decanoate Traditional Name: 10-[5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]capric acid [(3R,4Z,6E)-5-ethyl-7-[(2S,3S)-6-keto-3-methyl-2,3-dihydropyran-2-yl]-3-methyl-hepta-4,6-dienyl] ester Formula: C36H57N3O6S MolecularWeight: 659.91928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(C)CCOC(=O)CCCCCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C=CC3C(C=CC(=O)O3)C

Isomeric SMILES

CC/C(=C/[C@H](C)CCOC(=O)CCCCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)/C=C/[C@H]3[C@H](C=CC(=O)O3)C

InChI

InChI=1S/C36H57N3O6S/c1-4-28(18-19-30-27(3)17-20-34(42)45-30)24-26(2)21-23-44-33(41)16-10-8-6-5-7-9-13-22-37-32(40)15-12-11-14-31-35-29(25-46-31)38-36(43)39-35/h17-20,24,26-27,29-31,35H,4-16,21-23,25H2,1-3H3,(H,37,40)(H2,38,39,43)/b19-18+,28-24-/t26-,27+,29+,30+,31+,35+/m1/s1