2-azanyl-3-(2-oxidanylideneazepan-3-yl)sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-(2-oxidanylideneazepan-3-yl)sulfanyl-propanoic acid Openeye Name: 2-amino-3-(2-oxoazepan-3-yl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[(2-oxo-3-azepanyl)thio]propanoic acid IUPAC Name: 2-amino-3-(2-oxoazepan-3-yl)sulfanylpropanoic acid Traditional Name: 2-amino-3-[(2-ketoazepan-3-yl)thio]propionic acid Formula: C9H16N2O3S MolecularWeight: 232.29994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SCC(C(=O)O)N

Isomeric SMILES

C1CCNC(=O)C(C1)SCC(C(=O)O)N

InChI

InChI=1S/C9H16N2O3S/c10-6(9(13)14)5-15-7-3-1-2-4-11-8(7)12/h6-7H,1-5,10H2,(H,11,12)(H,13,14)