methyl (2S,3S)-2-benzamido-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,3-dideuterio-pentanoate

Systemtic Name: methyl (2S,3S)-2-benzamido-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,3-dideuterio-pentanoate Openeye Name: methyl (2S,3S)-2-benzamido-2,3-dideuterio-5-(1,3-dioxoisoindolin-2-yl)pentanoate CAS Name: (2S,3S)-2-benzamido-2,3-dideuterio-5-(1,3-dioxo-2-isoindolyl)pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-benzamido-2,3-dideuterio-5-(1,3-dioxoisoindol-2-yl)pentanoate Traditional Name: (2S,3S)-2-benzamido-2,3-dideuterio-5-phthalimido-valeric acid methyl ester Formula: C21H20N2O5 MolecularWeight: 382.406224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

[H][C@]([2H])(CCN1C(=O)C2=CC=CC=C2C1=O)[C@@]([2H])(C(=O)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-28-21(27)17(22-18(24)14-8-3-2-4-9-14)12-7-13-23-19(25)15-10-5-6-11-16(15)20(23)26/h2-6,8-11,17H,7,12-13H2,1H3,(H,22,24)/t17-/m0/s1/i12D,17D/t12-,17-