4-methyl-2-[[4-(4-methylphenyl)sulfonylthiomorpholin-3-yl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[4-(4-methylphenyl)sulfonylthiomorpholin-3-yl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[4-(p-tolylsulfonyl)thiomorpholine-3-carbonyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[[4-(4-methylphenyl)sulfonyl-3-thiomorpholinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[4-(4-methylphenyl)sulfonylthiomorpholine-3-carbonyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[(4-tosylthiomorpholine-3-carbonyl)amino]valeric acid Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCSCC2C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCSCC2C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C18H26N2O5S2/c1-12(2)10-15(18(22)23)19-17(21)16-11-26-9-8-20(16)27(24,25)14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11H2,1-3H3,(H,19,21)(H,22,23)