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

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[(2R)-1-methylsulfonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[(2R)-1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[[(2R)-1-methylsulfonyl-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[(2R)-1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[(2R)-1-mesyl-4-nicotinoyl-piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C24H27N5O6S MolecularWeight: 513.56608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CN(CCN3S(=O)(=O)C)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H]3CN(CCN3S(=O)(=O)C)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H27N5O6S/c1-35-24(32)20(12-17-14-26-19-8-4-3-7-18(17)19)27-22(30)21-15-28(10-11-29(21)36(2,33)34)23(31)16-6-5-9-25-13-16/h3-9,13-14,20-21,26H,10-12,15H2,1-2H3,(H,27,30)/t20-,21-/m1/s1