2,4-bis(azanyl)-2-(1-hydroxyethyl)-5-(4-hydroxyphenyl)-3-oxidanylidene-pentanoic acid

Systemtic Name: 2,4-bis(azanyl)-2-(1-hydroxyethyl)-5-(4-hydroxyphenyl)-3-oxidanylidene-pentanoic acid Openeye Name: 2,4-diamino-2-(1-hydroxyethyl)-5-(4-hydroxyphenyl)-3-oxo-pentanoic acid CAS Name: 2,4-diamino-2-(1-hydroxyethyl)-5-(4-hydroxyphenyl)-3-oxopentanoic acid IUPAC Name: 2,4-diamino-2-(1-hydroxyethyl)-5-(4-hydroxyphenyl)-3-oxopentanoic acid Traditional Name: 2,4-diamino-2-(1-hydroxyethyl)-5-(4-hydroxyphenyl)-3-keto-valeric acid Formula: C13H18N2O5 MolecularWeight: 282.29242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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