(4-methylsulfonylphenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: (4-methylsulfonylphenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: (4-methylsulfonylphenyl) (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid (4-methylsulfonylphenyl) ester IUPAC Name: (4-methylsulfonylphenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid (4-mesylphenyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C21H25NO6S/c1-21(2,3)28-20(24)22-18(14-15-8-6-5-7-9-15)19(23)27-16-10-12-17(13-11-16)29(4,25)26/h5-13,18H,14H2,1-4H3,(H,22,24)/t18-/m0/s1