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

Systemtic Name: methyl (2R)-2-[[(2R)-4-pyridin-3-ylcarbonyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-(pyridine-3-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[oxo-[(2R)-4-[oxo(3-pyridinyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-(pyridine-3-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-4-nicotinoyl-1-(2-thenoyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H22N4O5S/c1-13(20(28)29-2)22-17(25)15-12-23(18(26)14-5-3-7-21-11-14)8-9-24(15)19(27)16-6-4-10-30-16/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,22,25)/t13-,15-/m1/s1