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

Systemtic Name: 2-azanyl-3-[3-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-oxidanyl-phenoxy]phenyl]-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[5-(2-amino-3-hydroxy-3-oxo-propyl)-2-[5-(2-amino-3-hydroxy-3-oxo-propyl)-2-hydroxy-phenoxy]phenyl]-4-hydroxy-phenyl]propanoic acid CAS Name: 2-amino-3-[3-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenoxy]phenyl]-4-hydroxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenoxy]phenyl]-4-hydroxyphenyl]propanoic acid Traditional Name: 2-amino-3-[3-[5-(2-amino-3-hydroxy-3-keto-propyl)-2-[5-(2-amino-3-hydroxy-3-keto-propyl)-2-hydroxy-phenoxy]phenyl]-4-hydroxy-phenyl]propionic acid Formula: C27H29N3O9 MolecularWeight: 539.53386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)C2=C(C=CC(=C2)CC(C(=O)O)N)OC3=C(C=CC(=C3)CC(C(=O)O)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)C2=C(C=CC(=C2)CC(C(=O)O)N)OC3=C(C=CC(=C3)CC(C(=O)O)N)O)O

InChI

InChI=1S/C27H29N3O9/c28-18(25(33)34)9-13-1-4-21(31)16(7-13)17-8-14(10-19(29)26(35)36)3-6-23(17)39-24-12-15(2-5-22(24)32)11-20(30)27(37)38/h1-8,12,18-20,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)