2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-5-(pyridin-3-ylamino)pentanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-5-(pyridin-3-ylamino)pentanoic acid Openeye Name: 5-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-5-(3-pyridylamino)pentanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-oxo-5-(3-pyridinylamino)pentanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-oxo-5-(pyridin-3-ylamino)pentanoic acid Traditional Name: 5-keto-5-(3-pyridylamino)-2-[(1-tosylprolyl)amino]valeric acid Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6S/c1-15-6-8-17(9-7-15)33(31,32)26-13-3-5-19(26)21(28)25-18(22(29)30)10-11-20(27)24-16-4-2-12-23-14-16/h2,4,6-9,12,14,18-19H,3,5,10-11,13H2,1H3,(H,24,27)(H,25,28)(H,29,30)