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

Systemtic Name: 5-(butylamino)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(butylamino)-5-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: 5-(butylamino)-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(butylamino)-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(butylamino)-5-keto-2-[(1-tosylprolyl)amino]valeric acid Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC(C(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC(=O)CCC(C(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H31N3O6S/c1-3-4-13-22-19(25)12-11-17(21(27)28)23-20(26)18-6-5-14-24(18)31(29,30)16-9-7-15(2)8-10-16/h7-10,17-18H,3-6,11-14H2,1-2H3,(H,22,25)(H,23,26)(H,27,28)