[(4Z)-3,7-dimethyl-2-[(2E,4E)-6-methyl-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-propan-2-ylpiperazine-1-carboxylate

Systemtic Name: [(4Z)-3,7-dimethyl-2-[(2E,4E)-6-methyl-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-propan-2-ylpiperazine-1-carboxylate Openeye Name: [(4Z)-7,10-dihydroxy-2-[(1E,3E)-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-isopropylpiperazine-1-carboxylate CAS Name: 4-propan-2-yl-1-piperazinecarboxylic acid [(4Z)-7,10-dihydroxy-2-[(2E,4E)-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)-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-propan-2-ylpiperazine-1-carboxylate Traditional Name: 4-isopropylpiperazine-1-carboxylic acid [(4Z)-7,10-dihydroxy-2-[(1E,3E)-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: C36H60N2O8 MolecularWeight: 648.8702

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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)C)C)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)C(C)C)C)O

InChI

InChI=1S/C36H60N2O8/c1-9-29(40)27(7)34-30(44-34)21-24(4)11-10-12-25(5)33-26(6)13-14-31(36(8,43)16-15-28(39)22-32(41)46-33)45-35(42)38-19-17-37(18-20-38)23(2)3/h10-14,23-24,26-31,33-34,39-40,43H,9,15-22H2,1-8H3/b11-10+,14-13-,25-12+