methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarbonyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo-[2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]cyclohexyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexanecarbonyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarbonyl]amino]propionic acid methyl ester Formula: C29H35N5O4 MolecularWeight: 517.6193

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CCCCC3C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CCCCC3C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C29H35N5O4/c1-38-29(37)25(18-20-19-31-24-11-5-4-8-21(20)24)32-27(35)22-9-2-3-10-23(22)28(36)34-16-14-33(15-17-34)26-12-6-7-13-30-26/h4-8,11-13,19,22-23,25,31H,2-3,9-10,14-18H2,1H3,(H,32,35)/t22?,23?,25-/m0/s1