[(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] 1,4-diazepane-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] 1,4-diazepane-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] 1,4-diazepane-1-carboxylate CAS Name: 1,4-diazepane-1-carboxylic 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] 1,4-diazepane-1-carboxylate Traditional Name: 1,4-diazepane-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: C34H56N2O9 MolecularWeight: 636.81644

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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)N3CCCNCC3)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)N3CCCNCC3)C)O)O

InChI

InChI=1S/C34H56N2O9/c1-7-26(38)24(4)31-27(43-31)21-33(5,41)14-8-10-22(2)30-23(3)11-12-28(44-32(40)36-18-9-16-35-17-19-36)34(6,42)15-13-25(37)20-29(39)45-30/h8,10-12,14,23-28,30-31,35,37-38,41-42H,7,9,13,15-21H2,1-6H3/b12-11-,14-8+,22-10+