2-azanyl-3-(2-oxidanylideneazepan-4-yl)sulfinyl-propanoic acid

Systemtic Name: 2-azanyl-3-(2-oxidanylideneazepan-4-yl)sulfinyl-propanoic acid Openeye Name: 2-amino-3-(2-oxoazepan-4-yl)sulfinyl-propanoic acid CAS Name: 2-amino-3-[(2-oxo-4-azepanyl)sulfinyl]propanoic acid IUPAC Name: 2-amino-3-(2-oxoazepan-4-yl)sulfinylpropanoic acid Traditional Name: 2-amino-3-(2-ketoazepan-4-yl)sulfinyl-propionic acid Formula: C9H16N2O4S MolecularWeight: 248.29934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)NC1)S(=O)CC(C(=O)O)N

Isomeric SMILES

C1CC(CC(=O)NC1)S(=O)CC(C(=O)O)N

InChI

InChI=1S/C9H16N2O4S/c10-7(9(13)14)5-16(15)6-2-1-3-11-8(12)4-6/h6-7H,1-5,10H2,(H,11,12)(H,13,14)