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

Systemtic Name: methyl (2R)-2-[[(2R)-4-ethanoyl-1-morpholin-4-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-acetyl-1-(morpholine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2R)-4-acetyl-1-[4-morpholinyl(oxo)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-acetyl-1-(morpholine-4-carbonyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2R)-4-acetyl-1-(morpholine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C21H29N5O6 MolecularWeight: 447.48486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)C(=O)NC(CC2=CN=CC=C2)C(=O)OC)C(=O)N3CCOCC3

Isomeric SMILES

CC(=O)N1CCN([C@H](C1)C(=O)N[C@H](CC2=CN=CC=C2)C(=O)OC)C(=O)N3CCOCC3

InChI

InChI=1S/C21H29N5O6/c1-15(27)25-6-7-26(21(30)24-8-10-32-11-9-24)18(14-25)19(28)23-17(20(29)31-2)12-16-4-3-5-22-13-16/h3-5,13,17-18H,6-12,14H2,1-2H3,(H,23,28)/t17-,18-/m1/s1