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

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-piperazin-1-ylcarbonyloxyphenyl)propanoic acid Openeye Name: 3-[4-(piperazine-1-carbonyloxy)phenyl]-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[oxo(1-piperazinyl)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-(piperazine-1-carbonyloxy)phenyl]propanoic acid Traditional Name: 3-[4-(piperazine-1-carbonyloxy)phenyl]-2-[(1-tosylprolyl)amino]propionic acid Formula: C26H32N4O7S MolecularWeight: 544.61988

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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)OC(=O)N4CCNCC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)OC(=O)N4CCNCC4)C(=O)O

InChI

InChI=1S/C26H32N4O7S/c1-18-4-10-21(11-5-18)38(35,36)30-14-2-3-23(30)24(31)28-22(25(32)33)17-19-6-8-20(9-7-19)37-26(34)29-15-12-27-13-16-29/h4-11,22-23,27H,2-3,12-17H2,1H3,(H,28,31)(H,32,33)