[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H27N5O4/c1-17(30)27-21(14-18-15-26-20-7-3-2-6-19(18)20)24(32)33-16-23(31)29-12-10-28(11-13-29)22-8-4-5-9-25-22/h2-9,15,21,26H,10-14,16H2,1H3,(H,27,30)/t21-/m0/s1