[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H26N4O4/c1-15(27)25-19(11-16-12-24-18-8-4-3-7-17(16)18)21(29)30-13-20(28)26-22(14-23)9-5-2-6-10-22/h3-4,7-8,12,19,24H,2,5-6,9-11,13H2,1H3,(H,25,27)(H,26,28)/t19-/m0/s1