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

Systemtic Name: methyl (2R)-2-[[(2R)-1-cyclohexylcarbonyl-4-ethanoyl-piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-acetyl-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2R)-4-acetyl-1-[cyclohexyl(oxo)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-acetyl-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2R)-4-acetyl-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)C(=O)NC(CC2=CN=CC=C2)C(=O)OC)C(=O)C3CCCCC3

Isomeric SMILES

CC(=O)N1CCN([C@H](C1)C(=O)N[C@H](CC2=CN=CC=C2)C(=O)OC)C(=O)C3CCCCC3

InChI

InChI=1S/C23H32N4O5/c1-16(28)26-11-12-27(22(30)18-8-4-3-5-9-18)20(15-26)21(29)25-19(23(31)32-2)13-17-7-6-10-24-14-17/h6-7,10,14,18-20H,3-5,8-9,11-13,15H2,1-2H3,(H,25,29)/t19-,20-/m1/s1