3-(4-dimethylaminophenyl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-dimethylaminophenyl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(4-dimethylaminophenyl)-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-dimethylaminophenyl)-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-dimethylaminophenyl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(4-dimethylaminophenyl)-2-[(1-tosylprolyl)amino]propionic acid Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)N(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)N(C)C)C(=O)O

InChI

InChI=1S/C23H29N3O5S/c1-16-6-12-19(13-7-16)32(30,31)26-14-4-5-21(26)22(27)24-20(23(28)29)15-17-8-10-18(11-9-17)25(2)3/h6-13,20-21H,4-5,14-15H2,1-3H3,(H,24,27)(H,28,29)