2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(oxidanylamino)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(oxidanylamino)-3-oxidanylidene-propanoic acid Openeye Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(hydroxyamino)-3-oxo-propanoic acid CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(hydroxyamino)-3-oxopropanoic acid IUPAC Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(hydroxyamino)-3-oxopropanoic acid Traditional Name: 3-(hydroxyamino)-3-keto-2-(tyrosylamino)propionic acid Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(C(=O)NO)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(C(=O)NO)C(=O)O)N)O

InChI

InChI=1S/C12H15N3O6/c13-8(5-6-1-3-7(16)4-2-6)10(17)14-9(12(19)20)11(18)15-21/h1-4,8-9,16,21H,5,13H2,(H,14,17)(H,15,18)(H,19,20)