4-[(3-methoxyphenyl)amino]-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-methoxyphenyl)amino]-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-methoxyanilino)-4-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 4-(3-methoxyanilino)-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(3-methoxyanilino)-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-(m-anisidino)-2-[(1-tosylprolyl)amino]butyric acid Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NC3=CC(=CC=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NC3=CC(=CC=C3)OC)C(=O)O

InChI

InChI=1S/C23H27N3O7S/c1-15-8-10-18(11-9-15)34(31,32)26-12-4-7-20(26)22(28)25-19(23(29)30)14-21(27)24-16-5-3-6-17(13-16)33-2/h3,5-6,8-11,13,19-20H,4,7,12,14H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)