[(2R,3S,6S,7R,8R)-3-[[(3-formamido-2-oxidanyl-phenyl)-oxidanyl-methyl]amino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanyl)-1,5-dioxonan-7-yl] 2-methylpropanoate

Systemtic Name: [(2R,3S,6S,7R,8R)-3-[[(3-formamido-2-oxidanyl-phenyl)-oxidanyl-methyl]amino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanyl)-1,5-dioxonan-7-yl] 2-methylpropanoate Openeye Name: [(2R,3S,6S,7R,8R)-3-[[(3-formamido-2-hydroxy-phenyl)-hydroxy-methyl]amino]-8-hexyl-4,9-dihydroxy-2,6-dimethyl-1,5-dioxonan-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2R,3S,6S,7R,8R)-3-[[(3-formamido-2-hydroxyphenyl)-hydroxymethyl]amino]-8-hexyl-4,9-dihydroxy-2,6-dimethyl-1,5-dioxonan-7-yl] ester IUPAC Name: [(2R,3S,6S,7R,8R)-3-[[(3-formamido-2-hydroxyphenyl)-hydroxymethyl]amino]-8-hexyl-4,9-dihydroxy-2,6-dimethyl-1,5-dioxonan-7-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(2R,3S,6S,7R,8R)-3-[[(3-formamido-2-hydroxy-phenyl)-hydroxy-methyl]amino]-8-hexyl-4,9-dihydroxy-2,6-dimethyl-1,5-dioxonan-7-yl] ester Formula: C27H44N2O9 MolecularWeight: 540.64626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C(OC(C(C(OC1O)C)NC(C2=C(C(=CC=C2)NC=O)O)O)O)C)OC(=O)C(C)C

Isomeric SMILES

CCCCCC[C@@H]1[C@H]([C@@H](OC([C@H]([C@H](OC1O)C)NC(C2=C(C(=CC=C2)NC=O)O)O)O)C)OC(=O)C(C)C

InChI

InChI=1S/C27H44N2O9/c1-6-7-8-9-11-19-23(38-25(33)15(2)3)17(5)37-27(35)21(16(4)36-26(19)34)29-24(32)18-12-10-13-20(22(18)31)28-14-30/h10,12-17,19,21,23-24,26-27,29,31-32,34-35H,6-9,11H2,1-5H3,(H,28,30)/t16-,17+,19-,21+,23+,24?,26?,27?/m1/s1