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

Systemtic Name: methyl (2R)-2-[[(2R)-1,4-bis(pyridin-3-ylcarbonyl)piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-1,4-bis(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2R)-1,4-bis[oxo(3-pyridinyl)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-1,4-bis(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2R)-1,4-dinicotinoylpiperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C26H26N6O5 MolecularWeight: 502.52184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CC=C1)NC(=O)C2CN(CCN2C(=O)C3=CN=CC=C3)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@H]2CN(CCN2C(=O)C3=CN=CC=C3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H26N6O5/c1-37-26(36)21(13-18-5-2-8-27-14-18)30-23(33)22-17-31(24(34)19-6-3-9-28-15-19)11-12-32(22)25(35)20-7-4-10-29-16-20/h2-10,14-16,21-22H,11-13,17H2,1H3,(H,30,33)/t21-,22-/m1/s1