2-azanyl-3-[4-(1,3-disulfopropan-2-yl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(1,3-disulfopropan-2-yl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[2-sulfo-1-(sulfomethyl)ethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[4-(1,3-disulfopropan-2-yl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(1,3-disulfopropan-2-yl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[2-sulfo-1-(sulfomethyl)ethyl]phenyl]propionic acid Formula: C12H17NO8S2 MolecularWeight: 367.39528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)C(CS(=O)(=O)O)CS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)C(CS(=O)(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C12H17NO8S2/c13-11(12(14)15)5-8-1-3-9(4-2-8)10(6-22(16,17)18)7-23(19,20)21/h1-4,10-11H,5-7,13H2,(H,14,15)(H,16,17,18)(H,19,20,21)