methyl (2R)-2-[[(2S)-1-cyclohexylcarbonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-1-cyclohexylcarbonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[[(2S)-1-[cyclohexyl(oxo)methyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-nicotinoyl-piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C30H35N5O5 MolecularWeight: 545.6294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CN(CCN3C(=O)C4CCCCC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CN(CCN3C(=O)C4CCCCC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C30H35N5O5/c1-40-30(39)25(16-22-18-32-24-12-6-5-11-23(22)24)33-27(36)26-19-34(28(37)21-10-7-13-31-17-21)14-15-35(26)29(38)20-8-3-2-4-9-20/h5-7,10-13,17-18,20,25-26,32H,2-4,8-9,14-16,19H2,1H3,(H,33,36)/t25-,26+/m1/s1