(2R,3R,6R)-6-azanyl-2-methyl-5-oxidanylidene-1,4-thiazepane-3-carboxylic acid

Systemtic Name: (2R,3R,6R)-6-azanyl-2-methyl-5-oxidanylidene-1,4-thiazepane-3-carboxylic acid Openeye Name: (2R,3R,6R)-6-amino-2-methyl-5-oxo-1,4-thiazepane-3-carboxylic acid CAS Name: (2R,3R,6R)-6-amino-2-methyl-5-oxo-1,4-thiazepane-3-carboxylic acid IUPAC Name: (2R,3R,6R)-6-amino-2-methyl-5-oxo-1,4-thiazepane-3-carboxylic acid Traditional Name: (2R,3R,6R)-6-amino-5-keto-2-methyl-1,4-thiazepane-3-carboxylic acid Formula: C7H12N2O3S MolecularWeight: 204.24678

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(=O)C(CS1)N)C(=O)O

Isomeric SMILES

C[C@@H]1[C@H](NC(=O)[C@H](CS1)N)C(=O)O

InChI

InChI=1S/C7H12N2O3S/c1-3-5(7(11)12)9-6(10)4(8)2-13-3/h3-5H,2,8H2,1H3,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1