methyl (2S,3R)-2-acetamido-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanyl-hexanoate

Systemtic Name: methyl (2S,3R)-2-acetamido-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanyl-hexanoate Openeye Name: methyl (2S,3R)-2-acetamido-6-(1,3-dioxoisoindolin-2-yl)-3-hydroxy-hexanoate CAS Name: (2S,3R)-2-acetamido-6-(1,3-dioxo-2-isoindolyl)-3-hydroxyhexanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-acetamido-6-(1,3-dioxoisoindol-2-yl)-3-hydroxyhexanoate Traditional Name: (2S,3R)-2-acetamido-3-hydroxy-6-phthalimido-hexanoic acid methyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(CCCN1C(=O)C2=CC=CC=C2C1=O)O)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H]([C@@H](CCCN1C(=O)C2=CC=CC=C2C1=O)O)C(=O)OC

InChI

InChI=1S/C17H20N2O6/c1-10(20)18-14(17(24)25-2)13(21)8-5-9-19-15(22)11-6-3-4-7-12(11)16(19)23/h3-4,6-7,13-14,21H,5,8-9H2,1-2H3,(H,18,20)/t13-,14+/m1/s1