4-[(E)-7-[(6E)-5-methoxy-3-methyl-10-methylsulfanyl-4-oxidanyl-12-oxidanylidene-1-oxacyclododec-6-en-2-yl]-5-methyl-2-oxidanyl-4-oxidanylidene-oct-6-enyl]piperidine-2,6-dione

Systemtic Name: 4-[(E)-7-[(6E)-5-methoxy-3-methyl-10-methylsulfanyl-4-oxidanyl-12-oxidanylidene-1-oxacyclododec-6-en-2-yl]-5-methyl-2-oxidanyl-4-oxidanylidene-oct-6-enyl]piperidine-2,6-dione Openeye Name: 4-[(E)-2-hydroxy-7-[(6E)-4-hydroxy-5-methoxy-3-methyl-10-methylsulfanyl-12-oxo-1-oxacyclododec-6-en-2-yl]-5-methyl-4-oxo-oct-6-enyl]piperidine-2,6-dione CAS Name: 4-[(E)-2-hydroxy-7-[(6E)-4-hydroxy-5-methoxy-3-methyl-10-(methylthio)-12-oxo-1-oxacyclododec-6-en-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione IUPAC Name: 4-[(E)-2-hydroxy-7-[(6E)-4-hydroxy-5-methoxy-3-methyl-10-methylsulfanyl-12-oxo-1-oxacyclododec-6-en-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione Traditional Name: 4-[(E)-2-hydroxy-7-[(6E)-4-hydroxy-12-keto-5-methoxy-3-methyl-10-(methylthio)-1-oxacyclododec-6-en-2-yl]-4-keto-5-methyl-oct-6-enyl]piperidine-2,6-quinone Formula: C28H43NO8S MolecularWeight: 553.70792

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C=CCCC(CC(=O)OC1C(=CC(C)C(=O)CC(CC2CC(=O)NC(=O)C2)O)C)SC)OC)O

Isomeric SMILES

CC1C(C(/C=C/CCC(CC(=O)OC1/C(=C/C(C)C(=O)CC(CC2CC(=O)NC(=O)C2)O)/C)SC)OC)O

InChI

InChI=1S/C28H43NO8S/c1-16(22(31)14-20(30)11-19-12-24(32)29-25(33)13-19)10-17(2)28-18(3)27(35)23(36-4)9-7-6-8-21(38-5)15-26(34)37-28/h7,9-10,16,18-21,23,27-28,30,35H,6,8,11-15H2,1-5H3,(H,29,32,33)/b9-7+,17-10+