2-[(2-methoxyphenyl)sulfonylamino]-3-[piperidin-3-ylcarbonyl(3-piperidin-4-ylpropanoyl)amino]propanoic acid

Systemtic Name: 2-[(2-methoxyphenyl)sulfonylamino]-3-[piperidin-3-ylcarbonyl(3-piperidin-4-ylpropanoyl)amino]propanoic acid Openeye Name: 2-[(2-methoxyphenyl)sulfonylamino]-3-[piperidine-3-carbonyl-[3-(4-piperidyl)propanoyl]amino]propanoic acid CAS Name: 2-[(2-methoxyphenyl)sulfonylamino]-3-[[oxo(3-piperidinyl)methyl]-[1-oxo-3-(4-piperidinyl)propyl]amino]propanoic acid IUPAC Name: 2-[(2-methoxyphenyl)sulfonylamino]-3-[piperidine-3-carbonyl(3-piperidin-4-ylpropanoyl)amino]propanoic acid Traditional Name: 2-[(2-methoxyphenyl)sulfonylamino]-3-[nipecotoyl-[3-(4-piperidyl)propanoyl]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(CN(C(=O)CCC2CCNCC2)C(=O)C3CCCNC3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)NC(CN(C(=O)CCC2CCNCC2)C(=O)C3CCCNC3)C(=O)O

InChI

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