[3-[3-[3-[2-(4-azanylcyclohexyl)ethanoyloxymethyl]-5-methanoyl-2-(3-methylbutanoyloxymethyl)cyclopentyl]-2-methyl-cyclopentyl]-4-(hydroxymethyl)-2-(3-methylbutanoyloxymethyl)cyclopentyl]methyl 3-methylbutanoate

Systemtic Name: [3-[3-[3-[2-(4-azanylcyclohexyl)ethanoyloxymethyl]-5-methanoyl-2-(3-methylbutanoyloxymethyl)cyclopentyl]-2-methyl-cyclopentyl]-4-(hydroxymethyl)-2-(3-methylbutanoyloxymethyl)cyclopentyl]methyl 3-methylbutanoate Openeye Name: [3-[3-[3-[[2-(4-aminocyclohexyl)acetyl]oxymethyl]-5-formyl-2-(3-methylbutanoyloxymethyl)cyclopentyl]-2-methyl-cyclopentyl]-4-(hydroxymethyl)-2-(3-methylbutanoyloxymethyl)cyclopentyl]methyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid [3-[3-[3-[[2-(4-aminocyclohexyl)-1-oxoethoxy]methyl]-5-formyl-2-[(3-methyl-1-oxobutoxy)methyl]cyclopentyl]-2-methylcyclopentyl]-4-(hydroxymethyl)-2-[(3-methyl-1-oxobutoxy)methyl]cyclopentyl]methyl ester IUPAC Name: [3-[3-[3-[[2-(4-aminocyclohexyl)acetyl]oxymethyl]-5-formyl-2-(3-methylbutanoyloxymethyl)cyclopentyl]-2-methylcyclopentyl]-4-(hydroxymethyl)-2-(3-methylbutanoyloxymethyl)cyclopentyl]methyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid [3-[3-[3-[[2-(4-aminocyclohexyl)acetyl]oxymethyl]-5-formyl-2-(isovaleryloxymethyl)cyclopentyl]-2-methyl-cyclopentyl]-2-(isovaleryloxymethyl)-4-methylol-cyclopentyl]methyl ester Formula: C45H75NO10 MolecularWeight: 790.0777

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC1C2C(CC(C2COC(=O)CC(C)C)COC(=O)CC3CCC(CC3)N)C=O)C4C(CC(C4COC(=O)CC(C)C)COC(=O)CC(C)C)CO

Isomeric SMILES

CC1C(CCC1C2C(CC(C2COC(=O)CC(C)C)COC(=O)CC3CCC(CC3)N)C=O)C4C(CC(C4COC(=O)CC(C)C)COC(=O)CC(C)C)CO

InChI

InChI=1S/C45H75NO10/c1-26(2)14-40(49)53-22-33-18-31(20-47)44(38(33)24-55-41(50)15-27(3)4)36-12-13-37(29(36)7)45-32(21-48)19-34(39(45)25-56-42(51)16-28(5)6)23-54-43(52)17-30-8-10-35(46)11-9-30/h21,26-39,44-45,47H,8-20,22-25,46H2,1-7H3