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

Systemtic Name: methyl (2R)-2-[[(2R)-4-ethanoyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-acetyl-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2R)-4-acetyl-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-acetyl-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2R)-4-acetyl-1-(2-thenoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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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)C3=CC=CS3

Isomeric SMILES

CC(=O)N1CCN([C@H](C1)C(=O)N[C@H](CC2=CN=CC=C2)C(=O)OC)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N4O5S/c1-14(26)24-8-9-25(20(28)18-6-4-10-31-18)17(13-24)19(27)23-16(21(29)30-2)11-15-5-3-7-22-12-15/h3-7,10,12,16-17H,8-9,11,13H2,1-2H3,(H,23,27)/t16-,17-/m1/s1