2-azanyl-3-[4-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-oxidanyl-phenoxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-oxidanyl-phenoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[5-(2-amino-3-hydroxy-3-oxo-propyl)-2-hydroxy-phenoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[5-(2-amino-3-hydroxy-3-keto-propyl)-2-hydroxy-phenoxy]phenyl]propionic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)OC2=C(C=CC(=C2)CC(C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)OC2=C(C=CC(=C2)CC(C(=O)O)N)O

InChI

InChI=1S/C18H20N2O6/c19-13(17(22)23)7-10-1-4-12(5-2-10)26-16-9-11(3-6-15(16)21)8-14(20)18(24)25/h1-6,9,13-14,21H,7-8,19-20H2,(H,22,23)(H,24,25)