2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-(4-piperidin-4-ylcarbonyloxyphenyl)propanoic acid

Systemtic Name: 2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-(4-piperidin-4-ylcarbonyloxyphenyl)propanoic acid Openeye Name: 2-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-3-[4-(piperidine-4-carbonyloxy)phenyl]propanoic acid CAS Name: 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-3-[4-[oxo(4-piperidinyl)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-[4-(piperidine-4-carbonyloxy)phenyl]propanoic acid Traditional Name: 3-(4-isonipecotoyloxyphenyl)-2-[[2-[methyl(tosyl)amino]acetyl]amino]propionic acid Formula: C25H31N3O7S MolecularWeight: 517.59454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC(CC2=CC=C(C=C2)OC(=O)C3CCNCC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC(CC2=CC=C(C=C2)OC(=O)C3CCNCC3)C(=O)O

InChI

InChI=1S/C25H31N3O7S/c1-17-3-9-21(10-4-17)36(33,34)28(2)16-23(29)27-22(24(30)31)15-18-5-7-20(8-6-18)35-25(32)19-11-13-26-14-12-19/h3-10,19,22,26H,11-16H2,1-2H3,(H,27,29)(H,30,31)