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

Systemtic Name: 2,4-bis(azanyl)-5-(4-hydroxyphenyl)-3-oxidanylidene-2-(sulfanylmethyl)pentanoic acid Openeye Name: 2,4-diamino-5-(4-hydroxyphenyl)-3-oxo-2-(sulfanylmethyl)pentanoic acid CAS Name: 2,4-diamino-5-(4-hydroxyphenyl)-2-(mercaptomethyl)-3-oxopentanoic acid IUPAC Name: 2,4-diamino-5-(4-hydroxyphenyl)-3-oxo-2-(sulfanylmethyl)pentanoic acid Traditional Name: 2,4-diamino-5-(4-hydroxyphenyl)-3-keto-2-(mercaptomethyl)valeric acid Formula: C12H16N2O4S MolecularWeight: 284.33144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4S/c13-9(5-7-1-3-8(15)4-2-7)10(16)12(14,6-19)11(17)18/h1-4,9,15,19H,5-6,13-14H2,(H,17,18)