(2S)-2-[(1S)-1-(1-methyl-2-phenyl-indol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]propanoic acid

Systemtic Name: (2S)-2-[(1S)-1-(1-methyl-2-phenyl-indol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]propanoic acid Openeye Name: (2S)-2-[(1S)-1-(1-methyl-2-phenyl-indol-3-yl)-3-oxo-isoindolin-2-yl]propanoic acid CAS Name: (2S)-2-[(1S)-1-(1-methyl-2-phenyl-3-indolyl)-3-oxo-1H-isoindol-2-yl]propanoic acid IUPAC Name: (2S)-2-[(1S)-1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanoic acid Traditional Name: (2S)-2-[(3S)-1-keto-3-(1-methyl-2-phenyl-indol-3-yl)isoindolin-2-yl]propionic acid Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)O)N1[C@@H](C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

InChI

InChI=1S/C26H22N2O3/c1-16(26(30)31)28-24(18-12-6-7-13-19(18)25(28)29)22-20-14-8-9-15-21(20)27(2)23(22)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,30,31)/t16-,24-/m0/s1