[(1S,2S)-1,2-bis(2-methylphenyl)-2-oxidanyl-ethyl] (3S)-3-acetamido-4-ethanoyl-5-oxidanylidene-hexanoate

Systemtic Name: [(1S,2S)-1,2-bis(2-methylphenyl)-2-oxidanyl-ethyl] (3S)-3-acetamido-4-ethanoyl-5-oxidanylidene-hexanoate Openeye Name: [(1S,2S)-2-hydroxy-1,2-bis(o-tolyl)ethyl] (3S)-3-acetamido-4-acetyl-5-oxo-hexanoate CAS Name: (3S)-3-acetamido-4-acetyl-5-oxohexanoic acid [(1S,2S)-2-hydroxy-1,2-bis(2-methylphenyl)ethyl] ester IUPAC Name: [(1S,2S)-2-hydroxy-1,2-bis(2-methylphenyl)ethyl] (3S)-3-acetamido-4-acetyl-5-oxohexanoate Traditional Name: (3S)-3-acetamido-4-acetyl-5-keto-hexanoic acid [(1S,2S)-2-hydroxy-1,2-bis(o-tolyl)ethyl] ester Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(C2=CC=CC=C2C)OC(=O)CC(C(C(=O)C)C(=O)C)NC(=O)C)O

Isomeric SMILES

CC1=CC=CC=C1[C@@H]([C@H](C2=CC=CC=C2C)OC(=O)C[C@@H](C(C(=O)C)C(=O)C)NC(=O)C)O

InChI

InChI=1S/C26H31NO6/c1-15-10-6-8-12-20(15)25(32)26(21-13-9-7-11-16(21)2)33-23(31)14-22(27-19(5)30)24(17(3)28)18(4)29/h6-13,22,24-26,32H,14H2,1-5H3,(H,27,30)/t22-,25-,26-/m0/s1