2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid Traditional Name: 2-(tyrosylamino)succinic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c14-9(5-7-1-3-8(16)4-2-7)12(19)15-10(13(20)21)6-11(17)18/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)