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

Systemtic Name: [(4Z)-3,7-dimethyl-2-[(2E,4E)-6-methyl-6-oxidanyl-7-[3-(3-oxidanylpentan-2-yl)oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-but-2-ynylpiperazine-1-carboxylate Openeye Name: [(4Z)-7,10-dihydroxy-2-[(1E,3E)-5-hydroxy-6-[3-(2-hydroxy-1-methyl-butyl)oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-but-2-ynylpiperazine-1-carboxylate CAS Name: 4-but-2-ynyl-1-piperazinecarboxylic acid [(4Z)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)-2-oxiranyl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] ester IUPAC Name: [(4Z)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-but-2-ynylpiperazine-1-carboxylate Traditional Name: 4-but-2-ynylpiperazine-1-carboxylic acid [(4Z)-7,10-dihydroxy-2-[(1E,3E)-5-hydroxy-6-[3-(2-hydroxy-1-methyl-butyl)oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-12-keto-3,7-dimethyl-1-oxacyclododec-4-en-6-yl] ester Formula: C37H58N2O9 MolecularWeight: 674.86442

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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)CC#CC)C)O)O

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)CC#CC)C)O)O

InChI

InChI=1S/C37H58N2O9/c1-8-10-18-38-19-21-39(22-20-38)35(43)47-31-14-13-26(4)33(48-32(42)23-28(40)15-17-37(31,7)45)25(3)12-11-16-36(6,44)24-30-34(46-30)27(5)29(41)9-2/h11-14,16,26-31,33-34,40-41,44-45H,9,15,17-24H2,1-7H3/b14-13-,16-11+,25-12+