2-(1,1-dimethoxyethoxycarbonylamino)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid

Systemtic Name: 2-(1,1-dimethoxyethoxycarbonylamino)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid Openeye Name: 2-(1,1-dimethoxyethoxycarbonylamino)-3-[1-(p-tolylsulfonyl)imidazol-4-yl]propanoic acid CAS Name: 2-[[1,1-dimethoxyethoxy(oxo)methyl]amino]-3-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]propanoic acid IUPAC Name: 2-(1,1-dimethoxyethoxycarbonylamino)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid Traditional Name: 2-(1,1-dimethoxyethoxycarbonylamino)-3-(1-tosylimidazol-4-yl)propionic acid Formula: C18H23N3O8S MolecularWeight: 441.45552

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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)OC(C)(OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O8S/c1-12-5-7-14(8-6-12)30(25,26)21-10-13(19-11-21)9-15(16(22)23)20-17(24)29-18(2,27-3)28-4/h5-8,10-11,15H,9H2,1-4H3,(H,20,24)(H,22,23)