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

Systemtic Name: 2-azanyl-3-[3-[[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-oxidanyl-phenyl]methyl]-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[[5-(2-amino-3-hydroxy-3-oxo-propyl)-2-hydroxy-phenyl]methyl]-4-hydroxy-phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid Traditional Name: 2-amino-3-[3-[5-(2-amino-3-hydroxy-3-keto-propyl)-2-hydroxy-benzyl]-4-hydroxy-phenyl]propionic acid Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)CC2=C(C=CC(=C2)CC(C(=O)O)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)CC2=C(C=CC(=C2)CC(C(=O)O)N)O)O

InChI

InChI=1S/C19H22N2O6/c20-14(18(24)25)7-10-1-3-16(22)12(5-10)9-13-6-11(2-4-17(13)23)8-15(21)19(26)27/h1-6,14-15,22-23H,7-9,20-21H2,(H,24,25)(H,26,27)