2-[[1-[(E)-3-[2,3-bis(chloranyl)-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]prop-2-enoyl]piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[[1-[(E)-3-[2,3-bis(chloranyl)-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]prop-2-enoyl]piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 2-[[1-[(E)-3-[2,3-dichloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-[(E)-3-[2,3-dichloro-4-[(1-methyl-2-imidazolyl)thio]phenyl]-1-oxoprop-2-enyl]-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-[(E)-3-[2,3-dichloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]prop-2-enoyl]piperidine-4-carbonyl]amino]propanoic acid Traditional Name: 2-[[1-[(E)-3-[2,3-dichloro-4-[(1-methylimidazol-2-yl)thio]phenyl]acryloyl]isonipecotoyl]amino]propionic acid Formula: C22H24Cl2N4O4S MolecularWeight: 511.42136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1CCN(CC1)C(=O)C=CC2=C(C(=C(C=C2)SC3=NC=CN3C)Cl)Cl

Isomeric SMILES

CC(C(=O)O)NC(=O)C1CCN(CC1)C(=O)/C=C/C2=C(C(=C(C=C2)SC3=NC=CN3C)Cl)Cl

InChI

InChI=1S/C22H24Cl2N4O4S/c1-13(21(31)32)26-20(30)15-7-10-28(11-8-15)17(29)6-4-14-3-5-16(19(24)18(14)23)33-22-25-9-12-27(22)2/h3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,26,30)(H,31,32)/b6-4+