(2R)-2-azanyl-3-sulfanyl-propanoic acid; (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (2R)-2-azanyl-3-sulfanyl-propanoic acid; (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (2R)-2-amino-3-sulfanyl-propanoic acid; (E)-4-methoxy-4-oxo-but-2-enoic acid CAS Name: (2R)-2-amino-3-mercaptopropanoic acid; (E)-4-methoxy-4-oxo-2-butenoic acid IUPAC Name: (2R)-2-amino-3-sulfanylpropanoic acid; (E)-4-methoxy-4-oxobut-2-enoic acid Traditional Name: (2R)-2-amino-3-mercapto-propionic acid; (E)-4-keto-4-methoxy-but-2-enoic acid Formula: C8H13NO6S MolecularWeight: 251.25692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)O.C(C(C(=O)O)N)S

Isomeric SMILES

COC(=O)/C=C/C(=O)O.C([C@@H](C(=O)O)N)S

InChI

InChI=1S/C5H6O4.C3H7NO2S/c1-9-5(8)3-2-4(6)7;4-2(1-7)3(5)6/h2-3H,1H3,(H,6,7);2,7H,1,4H2,(H,5,6)/b3-2+;/t;2-/m.0/s1