methyl (2S)-2-[2-[(1S)-1-(1H-indol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[2-[(1S)-1-(1H-indol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[2-[(1S)-1-(1H-indol-3-yl)-3-oxo-isoindolin-2-yl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[(1S)-1-(1H-indol-3-yl)-3-keto-isoindolin-2-yl]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CN1C(C2=CC=CC=C2C1=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)CN1[C@@H](C2=CC=CC=C2C1=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H27N3O4/c1-15(2)12-21(25(31)32-3)27-22(29)14-28-23(17-9-4-5-10-18(17)24(28)30)19-13-26-20-11-7-6-8-16(19)20/h4-11,13,15,21,23,26H,12,14H2,1-3H3,(H,27,29)/t21-,23-/m0/s1