2-azanyl-3-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-4-hydroxy-phenyl]propanoic acid CAS Name: 2-amino-3-[3-[(2-amino-3-hydroxy-3-oxopropyl)thio]-4-hydroxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-4-hydroxyphenyl]propanoic acid Traditional Name: 2-amino-3-[3-[(2-amino-3-hydroxy-3-keto-propyl)thio]-4-hydroxy-phenyl]propionic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S/c13-7(11(16)17)3-6-1-2-9(15)10(4-6)20-5-8(14)12(18)19/h1-2,4,7-8,15H,3,5,13-14H2,(H,16,17)(H,18,19)