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

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylsulfonyl)phenyl]propanoate Openeye Name: methyl (2S)-3-[4-(benzenesulfonyl)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-[4-(benzenesulfonyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-(benzenesulfonyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-(4-besylphenyl)-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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