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

Systemtic Name: 4-(2-dimethylaminoethylamino)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-dimethylaminoethylamino)-4-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 4-(2-dimethylaminoethylamino)-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(2-dimethylaminoethylamino)-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-(2-dimethylaminoethylamino)-4-keto-2-[(1-tosylprolyl)amino]butyric acid Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NCCN(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NCCN(C)C)C(=O)O

InChI

InChI=1S/C20H30N4O6S/c1-14-6-8-15(9-7-14)31(29,30)24-11-4-5-17(24)19(26)22-16(20(27)28)13-18(25)21-10-12-23(2)3/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,21,25)(H,22,26)(H,27,28)