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

Systemtic Name: methyl (2R)-2-[[(2R)-1-(cyclohexylcarbamoyl)-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-1-(cyclohexylcarbamoyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2R)-1-[(cyclohexylamino)-oxomethyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-1-(cyclohexylcarbamoyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-1-(cyclohexylcarbamoyl)-4-nicotinoyl-piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)NC2CCCCC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1C(=O)NC2CCCCC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H31N5O5/c1-15(21(30)32-2)24-19(28)18-14-26(20(29)16-7-6-10-23-13-16)11-12-27(18)22(31)25-17-8-4-3-5-9-17/h6-7,10,13,15,17-18H,3-5,8-9,11-12,14H2,1-2H3,(H,24,28)(H,25,31)/t15-,18-/m1/s1