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

Systemtic Name: 2-[[2-(tert-butylsulfonylmethyl)-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[(2-benzyl-3-tert-butylsulfonyl-propanoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(tert-butylsulfonylmethyl)-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-benzyl-3-tert-butylsulfonylpropanoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2-benzyl-3-tert-butylsulfonyl-propanoyl)amino]-3-methyl-butyric acid Formula: C19H29NO5S MolecularWeight: 383.50226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO5S/c1-13(2)16(18(22)23)20-17(21)15(11-14-9-7-6-8-10-14)12-26(24,25)19(3,4)5/h6-10,13,15-16H,11-12H2,1-5H3,(H,20,21)(H,22,23)