2-azanyl-3-[2-(2-azanyl-3-sulfanyl-propanoyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2-azanyl-3-sulfanyl-propanoyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[2-(2-amino-3-sulfanyl-propanoyl)phenyl]propanoic acid CAS Name: 2-amino-3-[2-(2-amino-3-mercapto-1-oxopropyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(2-amino-3-sulfanylpropanoyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[2-(2-amino-3-mercapto-propanoyl)phenyl]propionic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c13-9(12(16)17)5-7-3-1-2-4-8(7)11(15)10(14)6-18/h1-4,9-10,18H,5-6,13-14H2,(H,16,17)