tris[[(2S)-3-methyl-1-oxidanyl-butan-2-yl]amino] 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylate

Systemtic Name: tris[[(2S)-3-methyl-1-oxidanyl-butan-2-yl]amino] 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylate Openeye Name: tris[[(1S)-1-(hydroxymethyl)-2-methyl-propyl]amino] 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylate CAS Name: 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid tris[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino] ester IUPAC Name: tris[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino] 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylate Traditional Name: 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid tris[[(1S)-2-methyl-1-methylol-propyl]amino] ester Formula: C27H51N3O9 MolecularWeight: 561.70854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NOC(=O)C1(CC(CC(C1)(C)C(=O)ONC(CO)C(C)C)(C)C(=O)ONC(CO)C(C)C)C

Isomeric SMILES

CC(C)[C@@H](CO)NOC(=O)C1(CC(CC(C1)(C)C(=O)ON[C@H](CO)C(C)C)(C)C(=O)ON[C@H](CO)C(C)C)C

InChI

InChI=1S/C27H51N3O9/c1-16(2)19(10-31)28-37-22(34)25(7)13-26(8,23(35)38-29-20(11-32)17(3)4)15-27(9,14-25)24(36)39-30-21(12-33)18(5)6/h16-21,28-33H,10-15H2,1-9H3/t19-,20-,21-,25?,26?,27?/m1/s1