tert-butyl (2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-tert-butylsulfonylprop-2-enoxy(oxo)methyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propionic acid tert-butyl ester Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)OCC(=C)S(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC(=C)S(=O)(=O)C(C)(C)C

InChI

InChI=1S/C21H31NO6S/c1-15(29(25,26)21(5,6)7)14-27-19(24)22-17(18(23)28-20(2,3)4)13-16-11-9-8-10-12-16/h8-12,17H,1,13-14H2,2-7H3,(H,22,24)/t17-/m0/s1