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

Systemtic Name: 4-[(4-dimethylaminophenyl)methylamino]-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-dimethylaminophenyl)methylamino]-4-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 4-[(4-dimethylaminophenyl)methylamino]-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(4-dimethylaminophenyl)methylamino]-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-(dimethylamino)benzyl]amino]-4-keto-2-[(1-tosylprolyl)amino]butyric acid Formula: C25H32N4O6S MolecularWeight: 516.60978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NCC3=CC=C(C=C3)N(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NCC3=CC=C(C=C3)N(C)C)C(=O)O

InChI

InChI=1S/C25H32N4O6S/c1-17-6-12-20(13-7-17)36(34,35)29-14-4-5-22(29)24(31)27-21(25(32)33)15-23(30)26-16-18-8-10-19(11-9-18)28(2)3/h6-13,21-22H,4-5,14-16H2,1-3H3,(H,26,30)(H,27,31)(H,32,33)