2-azanyl-3-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid

Systemtic Name: 2-azanyl-3-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid Openeye Name: 2-amino-3-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]butanoic acid CAS Name: 2-amino-3-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]butanoic acid IUPAC Name: 2-amino-3-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]butanoic acid Traditional Name: 2-amino-3-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]butyric acid Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)N)NC(CC1=CC=C(C=C1)O)C(=O)O

Isomeric SMILES

CC(C(C(=O)O)N)NC(CC1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C13H18N2O5/c1-7(11(14)13(19)20)15-10(12(17)18)6-8-2-4-9(16)5-3-8/h2-5,7,10-11,15-16H,6,14H2,1H3,(H,17,18)(H,19,20)