[(2R,3S,6S,7R,8R)-8-butyl-3-[(2-hydroxyphenyl)carbonylamino]-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate

Systemtic Name: [(2R,3S,6S,7R,8R)-8-butyl-3-[(2-hydroxyphenyl)carbonylamino]-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate Openeye Name: [(2R,3S,6S,7R,8R)-8-butyl-3-[(2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(2R,3S,6S,7R,8R)-8-butyl-3-[[(2-hydroxyphenyl)-oxomethyl]amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] ester IUPAC Name: [(2R,3S,6S,7R,8R)-8-butyl-3-[(2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(2R,3S,6S,7R,8R)-8-butyl-4,9-diketo-2,6-dimethyl-3-(salicyloylamino)-1,5-dioxonan-7-yl] ester Formula: C25H35NO8 MolecularWeight: 477.5473

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=CC=CC=C2O)C)OC(=O)CC(C)C

Isomeric SMILES

CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=CC=CC=C2O)C)OC(=O)CC(C)C

InChI

InChI=1S/C25H35NO8/c1-6-7-10-18-22(34-20(28)13-14(2)3)16(5)33-25(31)21(15(4)32-24(18)30)26-23(29)17-11-8-9-12-19(17)27/h8-9,11-12,14-16,18,21-22,27H,6-7,10,13H2,1-5H3,(H,26,29)/t15-,16+,18-,21+,22+/m1/s1