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

Systemtic Name: 2-[[2-(tert-butylsulfonylmethyl)-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: 2-[(2-benzyl-3-tert-butylsulfonyl-propanoyl)amino]hexanoic acid CAS Name: 2-[[2-(tert-butylsulfonylmethyl)-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: 2-[(2-benzyl-3-tert-butylsulfonylpropanoyl)amino]hexanoic acid Traditional Name: 2-[(2-benzyl-3-tert-butylsulfonyl-propanoyl)amino]hexanoic acid Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO5S/c1-5-6-12-17(19(23)24)21-18(22)16(13-15-10-8-7-9-11-15)14-27(25,26)20(2,3)4/h7-11,16-17H,5-6,12-14H2,1-4H3,(H,21,22)(H,23,24)