(3R,6R)-6-azanyl-5-oxidanylidene-1,4-thiazepane-3-carboxylic acid

Systemtic Name: (3R,6R)-6-azanyl-5-oxidanylidene-1,4-thiazepane-3-carboxylic acid Openeye Name: (3R,6R)-6-amino-5-oxo-1,4-thiazepane-3-carboxylic acid CAS Name: (3R,6R)-6-amino-5-oxo-1,4-thiazepane-3-carboxylic acid IUPAC Name: (3R,6R)-6-amino-5-oxo-1,4-thiazepane-3-carboxylic acid Traditional Name: (3R,6R)-6-amino-5-keto-1,4-thiazepane-3-carboxylic acid Formula: C6H10N2O3S MolecularWeight: 190.2202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(CS1)C(=O)O)N

Isomeric SMILES

C1[C@@H](C(=O)N[C@@H](CS1)C(=O)O)N

InChI

InChI=1S/C6H10N2O3S/c7-3-1-12-2-4(6(10)11)8-5(3)9/h3-4H,1-2,7H2,(H,8,9)(H,10,11)/t3-,4-/m0/s1