methyl 3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(3-oxidanylidene-1H-isoindol-2-yl)pentanoyl]amino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(3-oxidanylidene-1H-isoindol-2-yl)pentanoyl]amino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanoyl]amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-1-oxo-2-(3-oxo-1H-isoindol-2-yl)pentyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoyl]amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[(2S)-2-(1-ketoisoindolin-2-yl)-4-methyl-pentanoyl]amino]propionic acid methyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H29N3O4/c1-16(2)12-23(29-15-17-8-4-5-10-20(17)25(29)31)24(30)28-22(26(32)33-3)13-18-14-27-21-11-7-6-9-19(18)21/h4-11,14,16,22-23,27H,12-13,15H2,1-3H3,(H,28,30)/t22?,23-/m0/s1