4-azanyl-2-[[4,4-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[4,4-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[4,4-dimethyl-3-(p-tolylsulfonyl)thiazolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[4,4-dimethyl-3-(4-methylphenyl)sulfonyl-2-thiazolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[4,4-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(4,4-dimethyl-3-tosyl-thiazolidine-2-carbonyl)amino]-4-keto-butyric acid Formula: C17H23N3O6S2 MolecularWeight: 429.51102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(SCC2(C)C)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(SCC2(C)C)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C17H23N3O6S2/c1-10-4-6-11(7-5-10)28(25,26)20-15(27-9-17(20,2)3)14(22)19-12(16(23)24)8-13(18)21/h4-7,12,15H,8-9H2,1-3H3,(H2,18,21)(H,19,22)(H,23,24)