methyl (2S)-4-methyl-2-[2-(3-oxidanylidene-1,2-dihydroisoindol-1-yl)ethanoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[2-(3-oxidanylidene-1,2-dihydroisoindol-1-yl)ethanoylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-(3-oxoisoindolin-1-yl)acetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-2-(3-oxo-1,2-dihydroisoindol-1-yl)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-(3-ketoisoindolin-1-yl)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CC1C2=CC=CC=C2C(=O)N1

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)CC1C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C17H22N2O4/c1-10(2)8-14(17(22)23-3)18-15(20)9-13-11-6-4-5-7-12(11)16(21)19-13/h4-7,10,13-14H,8-9H2,1-3H3,(H,18,20)(H,19,21)/t13?,14-/m0/s1