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

Systemtic Name: 2-azanyl-3-[1-(4-methylphenyl)sulfonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[2-tert-butoxycarbonyl-1-(p-tolylsulfonyl)imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[1-(4-methylphenyl)sulfonyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(4-methylphenyl)sulfonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-(2-tert-butoxycarbonyl-1-tosyl-imidazol-4-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)N2C=C(N=C2C(=O)OC(C)(C)C)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2C(=O)OC(C)(C)C)CC(C(=O)O)N

InChI

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