2-azanyl-3-(5-methoxy-5-oxidanylidene-pentyl)sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-(5-methoxy-5-oxidanylidene-pentyl)sulfanyl-propanoic acid Openeye Name: 2-amino-3-(5-methoxy-5-oxo-pentyl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[(5-methoxy-5-oxopentyl)thio]propanoic acid IUPAC Name: 2-amino-3-(5-methoxy-5-oxopentyl)sulfanylpropanoic acid Traditional Name: 2-amino-3-[(5-keto-5-methoxy-pentyl)thio]propionic acid Formula: C9H17NO4S MolecularWeight: 235.30058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCSCC(C(=O)O)N

Isomeric SMILES

COC(=O)CCCCSCC(C(=O)O)N

InChI

InChI=1S/C9H17NO4S/c1-14-8(11)4-2-3-5-15-6-7(10)9(12)13/h7H,2-6,10H2,1H3,(H,12,13)