2-tert-butylsulfonylprop-2-enyl 3-(2-azanyl-3-phenyl-propanoyl)oxy-3-methyl-butanoate

Systemtic Name: 2-tert-butylsulfonylprop-2-enyl 3-(2-azanyl-3-phenyl-propanoyl)oxy-3-methyl-butanoate Openeye Name: 2-tert-butylsulfonylallyl 3-(2-amino-3-phenyl-propanoyl)oxy-3-methyl-butanoate CAS Name: 3-(2-amino-1-oxo-3-phenylpropoxy)-3-methylbutanoic acid 2-tert-butylsulfonylprop-2-enyl ester IUPAC Name: 2-tert-butylsulfonylprop-2-enyl 3-(2-amino-3-phenylpropanoyl)oxy-3-methylbutanoate Traditional Name: 3-methyl-3-phenylalanyloxy-butyric acid 2-tert-butylsulfonylallyl ester Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(=C)COC(=O)CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C)(C)S(=O)(=O)C(=C)COC(=O)CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C21H31NO6S/c1-15(29(25,26)20(2,3)4)14-27-18(23)13-21(5,6)28-19(24)17(22)12-16-10-8-7-9-11-16/h7-11,17H,1,12-14,22H2,2-6H3