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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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