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

Systemtic Name: 2-[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[3-methyl-2-(p-tolylsulfonylamino)pentanoyl]piperidine-4-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]-4-piperidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]amino]acetic acid Traditional Name: 2-[[1-[3-methyl-2-(tosylamino)pentanoyl]isonipecotoyl]amino]acetic acid Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O6S/c1-4-15(3)19(23-31(29,30)17-7-5-14(2)6-8-17)21(28)24-11-9-16(10-12-24)20(27)22-13-18(25)26/h5-8,15-16,19,23H,4,9-13H2,1-3H3,(H,22,27)(H,25,26)