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

Systemtic Name: 3-methyl-2-[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidin-4-yl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[1-[3-methyl-2-(p-tolylsulfonylamino)pentanoyl]piperidine-4-carbonyl]amino]butanoic acid CAS Name: 3-methyl-2-[[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]-4-piperidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[1-[3-methyl-2-(tosylamino)pentanoyl]isonipecotoyl]amino]butyric acid Formula: C24H37N3O6S MolecularWeight: 495.63208

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H37N3O6S/c1-6-17(5)21(26-34(32,33)19-9-7-16(4)8-10-19)23(29)27-13-11-18(12-14-27)22(28)25-20(15(2)3)24(30)31/h7-10,15,17-18,20-21,26H,6,11-14H2,1-5H3,(H,25,28)(H,30,31)