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

Systemtic Name: 2-[[1-[(E)-3-[2,3-bis(chloranyl)-4-cyclopentylsulfanyl-phenyl]prop-2-enoyl]piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 2-[[1-[(E)-3-(2,3-dichloro-4-cyclopentylsulfanyl-phenyl)prop-2-enoyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-[(E)-3-[2,3-dichloro-4-(cyclopentylthio)phenyl]-1-oxoprop-2-enyl]-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-[(E)-3-(2,3-dichloro-4-cyclopentylsulfanylphenyl)prop-2-enoyl]piperidine-4-carbonyl]amino]propanoic acid Traditional Name: 2-[[1-[(E)-3-[2,3-dichloro-4-(cyclopentylthio)phenyl]acryloyl]isonipecotoyl]amino]propionic acid Formula: C23H28Cl2N2O4S MolecularWeight: 499.45042

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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)SC3CCCC3)Cl)Cl

Isomeric SMILES

CC(C(=O)O)NC(=O)C1CCN(CC1)C(=O)/C=C/C2=C(C(=C(C=C2)SC3CCCC3)Cl)Cl

InChI

InChI=1S/C23H28Cl2N2O4S/c1-14(23(30)31)26-22(29)16-10-12-27(13-11-16)19(28)9-7-15-6-8-18(21(25)20(15)24)32-17-4-2-3-5-17/h6-9,14,16-17H,2-5,10-13H2,1H3,(H,26,29)(H,30,31)/b9-7+