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

Systemtic Name: ditert-butyl (2S)-2-[2-(1H-indol-3-yl)ethanoylamino]butanedioate Openeye Name: ditert-butyl (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioate CAS Name: (2S)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]butanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioate Traditional Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]succinic acid ditert-butyl ester Formula: C22H30N2O5 MolecularWeight: 408.439929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-21(2,3)28-19(26)12-17(20(27)29-22(4,5)6)24-18(25)11-14-13-23-16-10-8-7-9-15(14)16/h7-10,13,17,23H,11-12H2,1-6H3,(H,24,25)/t17-/m0/s1/i7+1,8+1,9+1,10+1,15+1,16+1