2,4-bis(azanyl)-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-3-oxidanylidene-pentanoic acid

Systemtic Name: 2,4-bis(azanyl)-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-3-oxidanylidene-pentanoic acid Openeye Name: 2,4-diamino-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-3-oxo-pentanoic acid CAS Name: 2,4-diamino-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-3-oxopentanoic acid IUPAC Name: 2,4-diamino-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-3-oxopentanoic acid Traditional Name: 2,4-diamino-5-(4-hydroxyphenyl)-3-keto-2-methylol-valeric acid Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5/c13-9(5-7-1-3-8(16)4-2-7)10(17)12(14,6-15)11(18)19/h1-4,9,15-16H,5-6,13-14H2,(H,18,19)