3-oxidanyl-2-[[2-[(4-sulfooxyphenyl)methyl]phenyl]methoxycarbonylamino]propanoic acid

Systemtic Name: 3-oxidanyl-2-[[2-[(4-sulfooxyphenyl)methyl]phenyl]methoxycarbonylamino]propanoic acid Openeye Name: 3-hydroxy-2-[[2-[(4-sulfooxyphenyl)methyl]phenyl]methoxycarbonylamino]propanoic acid CAS Name: 3-hydroxy-2-[[oxo-[[2-[(4-sulfooxyphenyl)methyl]phenyl]methoxy]methyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-[(4-sulfooxyphenyl)methyl]phenyl]methoxycarbonylamino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-(4-sulfoxybenzyl)benzyl]oxycarbonylamino]propionic acid Formula: C18H19NO9S MolecularWeight: 425.40976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC=C(C=C2)OS(=O)(=O)O)COC(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC=C(C=C2)OS(=O)(=O)O)COC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C18H19NO9S/c20-10-16(17(21)22)19-18(23)27-11-14-4-2-1-3-13(14)9-12-5-7-15(8-6-12)28-29(24,25)26/h1-8,16,20H,9-11H2,(H,19,23)(H,21,22)(H,24,25,26)