(2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[1-(p-tolylsulfonyl)imidazol-4-yl]propanoic acid CAS Name: (2S)-3-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1-tosylimidazol-4-yl)propionic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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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)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O6S/c1-15-7-9-18(10-8-15)31(28,29)24-12-17(22-14-24)11-19(20(25)26)23-21(27)30-13-16-5-3-2-4-6-16/h2-10,12,14,19H,11,13H2,1H3,(H,23,27)(H,25,26)/t19-/m0/s1