dimethyl (2S)-2-[2-(1H-indol-3-yl)ethanoylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[2-(1H-indol-3-yl)ethanoylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]pentanedioate CAS Name: (2S)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]glutaric acid dimethyl ester Formula: C17H20N2O5 MolecularWeight: 338.307029

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)CC1=CNC2=CC=CC=C21

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)NC(=O)CC1=CN[13C]2=[13CH][13CH]=[13CH][13CH]=[13C]12

InChI

InChI=1S/C17H20N2O5/c1-23-16(21)8-7-14(17(22)24-2)19-15(20)9-11-10-18-13-6-4-3-5-12(11)13/h3-6,10,14,18H,7-9H2,1-2H3,(H,19,20)/t14-/m0/s1/i3+1,4+1,5+1,6+1,12+1,13+1