methyl (2S)-2-[2-(6-fluoranylindol-1-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[2-(6-fluoranylindol-1-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-(6-fluoro-1-indolyl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CN3C=CC4=C3C=C(C=C4)F

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CN3C=CC4=C3C=C(C=C4)F

InChI

InChI=1S/C22H20FN3O3/c1-29-22(28)19(10-15-12-24-18-5-3-2-4-17(15)18)25-21(27)13-26-9-8-14-6-7-16(23)11-20(14)26/h2-9,11-12,19,24H,10,13H2,1H3,(H,25,27)/t19-/m0/s1