2-[cyclobutylcarbonyl(4-methylsulfonylbutyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[cyclobutylcarbonyl(4-methylsulfonylbutyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[cyclobutanecarbonyl(4-methylsulfonylbutyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[cyclobutyl(oxo)methyl]-(4-methylsulfonylbutyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[cyclobutanecarbonyl(4-methylsulfonylbutyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[cyclobutanecarbonyl(4-mesylbutyl)amino]-3-phenyl-propionic acid Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCC2

Isomeric SMILES

CS(=O)(=O)CCCCN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCC2

InChI

InChI=1S/C19H27NO5S/c1-26(24,25)13-6-5-12-20(18(21)16-10-7-11-16)17(19(22)23)14-15-8-3-2-4-9-15/h2-4,8-9,16-17H,5-7,10-14H2,1H3,(H,22,23)