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

Systemtic Name: 2-[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[3-methyl-2-(p-tolylsulfonylamino)butanoyl]piperidine-4-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]acetic acid Traditional Name: 2-[[1-[3-methyl-2-(tosylamino)butanoyl]isonipecotoyl]amino]acetic acid Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)N2CCC(CC2)C(=O)NCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)N2CCC(CC2)C(=O)NCC(=O)O

InChI

InChI=1S/C20H29N3O6S/c1-13(2)18(22-30(28,29)16-6-4-14(3)5-7-16)20(27)23-10-8-15(9-11-23)19(26)21-12-17(24)25/h4-7,13,15,18,22H,8-12H2,1-3H3,(H,21,26)(H,24,25)