2-azanyl-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(1-azepanyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]propionic acid Formula: C11H20N2O3S MolecularWeight: 260.3531

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C11H20N2O3S/c12-9(11(15)16)7-17-8-10(14)13-5-3-1-2-4-6-13/h9H,1-8,12H2,(H,15,16)