[(4Z)-2-[(2E,4E)-7-[3-[3-(dimethylcarbamoyloxy)pentan-2-yl]oxiran-2-yl]-6-methyl-hepta-2,4-dien-2-yl]-3,7-dimethyl-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [(4Z)-2-[(2E,4E)-7-[3-[3-(dimethylcarbamoyloxy)pentan-2-yl]oxiran-2-yl]-6-methyl-hepta-2,4-dien-2-yl]-3,7-dimethyl-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate Openeye Name: [(4Z)-2-[(1E,3E)-6-[3-[2-(dimethylcarbamoyloxy)-1-methyl-butyl]oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [(4Z)-2-[(2E,4E)-7-[3-[3-[dimethylamino(oxo)methoxy]pentan-2-yl]-2-oxiranyl]-6-methylhepta-2,4-dien-2-yl]-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] ester IUPAC Name: [(4Z)-2-[(2E,4E)-7-[3-[3-(dimethylcarbamoyloxy)pentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [(4Z)-2-[(1E,3E)-6-[3-[2-(dimethylcarbamoyloxy)-1-methyl-butyl]oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-7,10-dihydroxy-12-keto-3,7-dimethyl-1-oxacyclododec-4-en-6-yl] ester Formula: C37H61N3O9 MolecularWeight: 691.89494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C1C(O1)CC(C)C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C)C)OC(=O)N(C)C

Isomeric SMILES

CCC(C(C)C1C(O1)CC(C)/C=C/C=C(\C)/C2C(/C=C\C(C(CCC(CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C)C)OC(=O)N(C)C

InChI

InChI=1S/C37H61N3O9/c1-10-29(47-35(43)38(7)8)27(5)34-30(46-34)22-24(2)12-11-13-25(3)33-26(4)14-15-31(48-36(44)40-20-18-39(9)19-21-40)37(6,45)17-16-28(41)23-32(42)49-33/h11-15,24,26-31,33-34,41,45H,10,16-23H2,1-9H3/b12-11+,15-14-,25-13+