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

Systemtic Name: dimethyl (2S)-2-[2-(1H-indol-3-yl)ethanoylamino]butanedioate Openeye Name: dimethyl (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioate CAS Name: (2S)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioate Traditional Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]succinic acid dimethyl ester Formula: C16H18N2O5 MolecularWeight: 324.280449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c1-22-15(20)8-13(16(21)23-2)18-14(19)7-10-9-17-12-6-4-3-5-11(10)12/h3-6,9,13,17H,7-8H2,1-2H3,(H,18,19)/t13-/m0/s1/i3+1,4+1,5+1,6+1,11+1,12+1