4-(dimethylamino)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(dimethylamino)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(dimethylamino)-4-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 4-(dimethylamino)-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(dimethylamino)-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-(dimethylamino)-4-keto-2-[(1-tosylprolyl)amino]butyric acid Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)N(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C18H25N3O6S/c1-12-6-8-13(9-7-12)28(26,27)21-10-4-5-15(21)17(23)19-14(18(24)25)11-16(22)20(2)3/h6-9,14-15H,4-5,10-11H2,1-3H3,(H,19,23)(H,24,25)