3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid Openeye Name: 2-[tert-butoxycarbonyl(p-tolylsulfonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)sulfonyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid Traditional Name: 2-[tert-butoxycarbonyl(tosyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CN=CN2)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CN=CN2)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23N3O6S/c1-12-5-7-14(8-6-12)28(25,26)21(17(24)27-18(2,3)4)15(16(22)23)9-13-10-19-11-20-13/h5-8,10-11,15H,9H2,1-4H3,(H,19,20)(H,22,23)