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

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-4-(pyridin-4-ylamino)butanoic acid Openeye Name: 4-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-4-(4-pyridylamino)butanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-oxo-4-(pyridin-4-ylamino)butanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-oxo-4-(pyridin-4-ylamino)butanoic acid Traditional Name: 4-keto-4-(4-pyridylamino)-2-[(1-tosylprolyl)amino]butyric acid Formula: C21H24N4O6S MolecularWeight: 460.50346

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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=NC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O6S/c1-14-4-6-16(7-5-14)32(30,31)25-12-2-3-18(25)20(27)24-17(21(28)29)13-19(26)23-15-8-10-22-11-9-15/h4-11,17-18H,2-3,12-13H2,1H3,(H,24,27)(H,28,29)(H,22,23,26)