2-[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 2-[[1-[3-methyl-2-(p-tolylsulfonylamino)pentanoyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]amino]propanoic acid Traditional Name: 2-[[1-[3-methyl-2-(tosylamino)pentanoyl]isonipecotoyl]amino]propionic acid Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC(CC1)C(=O)NC(C)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)C(C(=O)N1CCC(CC1)C(=O)NC(C)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H33N3O6S/c1-5-15(3)19(24-32(30,31)18-8-6-14(2)7-9-18)21(27)25-12-10-17(11-13-25)20(26)23-16(4)22(28)29/h6-9,15-17,19,24H,5,10-13H2,1-4H3,(H,23,26)(H,28,29)