2-[(2-methoxyphenyl)sulfonylamino]-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[(2-methoxyphenyl)sulfonylamino]-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-[(2-methoxyphenyl)sulfonylamino]-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-[(2-methoxyphenyl)sulfonylamino]-3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 2-[(2-methoxyphenyl)sulfonylamino]-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-[(2-methoxyphenyl)sulfonylamino]-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C24H36N4O7S MolecularWeight: 524.63024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)C2CCCN(C2)C(=O)CCC3CCNCC3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)C2CCCN(C2)C(=O)CCC3CCNCC3)C(=O)O

InChI

InChI=1S/C24H36N4O7S/c1-35-20-6-2-3-7-21(20)36(33,34)27-19(24(31)32)15-26-23(30)18-5-4-14-28(16-18)22(29)9-8-17-10-12-25-13-11-17/h2-3,6-7,17-19,25,27H,4-5,8-16H2,1H3,(H,26,30)(H,31,32)