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

Systemtic Name: 2-[cyclopentylcarbonyl(4-methylsulfonylbutyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[cyclopentanecarbonyl(4-methylsulfonylbutyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[cyclopentyl(oxo)methyl]-(4-methylsulfonylbutyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[cyclopentanecarbonyl(4-methylsulfonylbutyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[cyclopentanecarbonyl(4-mesylbutyl)amino]-3-phenyl-propionic acid Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCCC2

Isomeric SMILES

CS(=O)(=O)CCCCN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCCC2

InChI

InChI=1S/C20H29NO5S/c1-27(25,26)14-8-7-13-21(19(22)17-11-5-6-12-17)18(20(23)24)15-16-9-3-2-4-10-16/h2-4,9-10,17-18H,5-8,11-15H2,1H3,(H,23,24)