(2S)-2-azanyl-4-[(4-hydroxyphenyl)amino]hexanedioic acid

Systemtic Name: (2S)-2-azanyl-4-[(4-hydroxyphenyl)amino]hexanedioic acid Openeye Name: (2S)-2-amino-4-(4-hydroxyanilino)hexanedioic acid CAS Name: (2S)-2-amino-4-(4-hydroxyanilino)hexanedioic acid IUPAC Name: (2S)-2-amino-4-(4-hydroxyanilino)hexanedioic acid Traditional Name: (2S)-2-amino-4-(4-hydroxyanilino)adipic acid Formula: C12H16N2O5 MolecularWeight: 268.26584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(CC(C(=O)O)N)CC(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1NC(C[C@@H](C(=O)O)N)CC(=O)O)O

InChI

InChI=1S/C12H16N2O5/c13-10(12(18)19)5-8(6-11(16)17)14-7-1-3-9(15)4-2-7/h1-4,8,10,14-15H,5-6,13H2,(H,16,17)(H,18,19)/t8?,10-/m0/s1