methyl (2S)-2-[2-(2,3-dihydroindol-1-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[2-(2,3-dihydroindol-1-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(2-indolin-1-ylacetyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-(2,3-dihydroindol-1-yl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(2-indolin-1-ylacetyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CN3CCC4=CC=CC=C43

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CN3CCC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O3/c1-28-22(27)19(12-16-13-23-18-8-4-3-7-17(16)18)24-21(26)14-25-11-10-15-6-2-5-9-20(15)25/h2-9,13,19,23H,10-12,14H2,1H3,(H,24,26)/t19-/m0/s1