[(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-(2-methylpropyl)-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] 4-(2-methylpropyl)-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] 4-isobutyl-1,4-diazepane-1-carboxylate CAS Name: 4-(2-methylpropyl)-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] 4-(2-methylpropyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-isobutyl-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: C38H64N2O9 MolecularWeight: 692.92276

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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)N3CCCN(CC3)CC(C)C)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)N3CCCN(CC3)CC(C)C)C)O)O

InChI

InChI=1S/C38H64N2O9/c1-9-30(42)28(6)35-31(47-35)23-37(7,45)16-10-12-26(4)34-27(5)13-14-32(38(8,46)17-15-29(41)22-33(43)49-34)48-36(44)40-19-11-18-39(20-21-40)24-25(2)3/h10,12-14,16,25,27-32,34-35,41-42,45-46H,9,11,15,17-24H2,1-8H3/b14-13-,16-10+,26-12+