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

Systemtic Name: methyl (2R)-2-[[(2R)-1-cyclohexylcarbonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2R)-1-[cyclohexyl(oxo)methyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-nicotinoyl-piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C27H33N5O5 MolecularWeight: 507.58142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CC=C1)NC(=O)C2CN(CCN2C(=O)C3CCCCC3)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@H]2CN(CCN2C(=O)C3CCCCC3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H33N5O5/c1-37-27(36)22(15-19-7-5-11-28-16-19)30-24(33)23-18-31(25(34)21-10-6-12-29-17-21)13-14-32(23)26(35)20-8-3-2-4-9-20/h5-7,10-12,16-17,20,22-23H,2-4,8-9,13-15,18H2,1H3,(H,30,33)/t22-,23-/m1/s1