2-[[2-(cyclopentylsulfonylmethyl)-3-phenyl-propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-(cyclopentylsulfonylmethyl)-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: 2-[(2-benzyl-3-cyclopentylsulfonyl-propanoyl)amino]hexanoic acid CAS Name: 2-[[2-(cyclopentylsulfonylmethyl)-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: 2-[(2-benzyl-3-cyclopentylsulfonylpropanoyl)amino]hexanoic acid Traditional Name: 2-[(2-benzyl-3-cyclopentylsulfonyl-propanoyl)amino]hexanoic acid Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)C2CCCC2

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)C2CCCC2

InChI

InChI=1S/C21H31NO5S/c1-2-3-13-19(21(24)25)22-20(23)17(14-16-9-5-4-6-10-16)15-28(26,27)18-11-7-8-12-18/h4-6,9-10,17-19H,2-3,7-8,11-15H2,1H3,(H,22,23)(H,24,25)