methyl (2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[1-(p-tolylsulfonyl)imidazol-4-yl]propanoate CAS Name: (2S)-3-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1-tosylimidazol-4-yl)propionic acid methyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N3O6S/c1-13-6-8-15(9-7-13)29(25,26)22-11-14(20-12-22)10-16(17(23)27-5)21-18(24)28-19(2,3)4/h6-9,11-12,16H,10H2,1-5H3,(H,21,24)/t16-/m0/s1