(2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoic acid Openeye Name: (2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-tert-butylsulfonylprop-2-enoxy(oxo)methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenylpropanoic acid Traditional Name: (2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propionic acid Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(=C)COC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)S(=O)(=O)C(=C)COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H23NO6S/c1-12(25(22,23)17(2,3)4)11-24-16(21)18-14(15(19)20)10-13-8-6-5-7-9-13/h5-9,14H,1,10-11H2,2-4H3,(H,18,21)(H,19,20)/t14-/m0/s1