3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(propan-2-ylsulfonylamino)propanoic acid

Systemtic Name: 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(propan-2-ylsulfonylamino)propanoic acid Openeye Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-(isopropylsulfonylamino)propanoic acid CAS Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-(propan-2-ylsulfonylamino)propanoic acid IUPAC Name: 3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-(propan-2-ylsulfonylamino)propanoic acid Traditional Name: 3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]-2-(isopropylsulfonylamino)propionic acid Formula: C19H25N5O6S MolecularWeight: 451.4967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C19H25N5O6S/c1-13(2)31(29,30)22-16(19(27)28)10-21-17(25)11-24-8-7-23(12-18(24)26)15-5-3-14(9-20)4-6-15/h3-6,13,16,22H,7-8,10-12H2,1-2H3,(H,21,25)(H,27,28)