2-[5-[[2-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanoyl]amino]pyrazin-2-yl]propanedioic acid

Systemtic Name: 2-[5-[[2-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanoyl]amino]pyrazin-2-yl]propanedioic acid Openeye Name: 2-[5-[[2-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanoyl]amino]pyrazin-2-yl]propanedioic acid CAS Name: 2-[5-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-1-oxopropyl]amino]-2-pyrazinyl]propanedioic acid IUPAC Name: 2-[5-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazin-2-yl]propanedioic acid Traditional Name: 2-[5-[[2-(3-chloro-4-mesyl-phenyl)-3-cyclopentyl-propanoyl]amino]pyrazin-2-yl]malonic acid Formula: C22H24ClN3O7S MolecularWeight: 509.95986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=C(N=C3)C(C(=O)O)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=C(N=C3)C(C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C22H24ClN3O7S/c1-34(32,33)17-7-6-13(9-15(17)23)14(8-12-4-2-3-5-12)20(27)26-18-11-24-16(10-25-18)19(21(28)29)22(30)31/h6-7,9-12,14,19H,2-5,8H2,1H3,(H,28,29)(H,30,31)(H,25,26,27)