2-azanyl-3-(1-oxidanylidenehexan-3-ylsulfanyl)propanoic acid

Systemtic Name: 2-azanyl-3-(1-oxidanylidenehexan-3-ylsulfanyl)propanoic acid Openeye Name: 2-amino-3-[1-(2-oxoethyl)butylsulfanyl]propanoic acid CAS Name: 2-amino-3-(1-oxohexan-3-ylthio)propanoic acid IUPAC Name: 2-amino-3-(1-oxohexan-3-ylsulfanyl)propanoic acid Traditional Name: 2-amino-3-[1-(2-ketoethyl)butylthio]propionic acid Formula: C9H17NO3S MolecularWeight: 219.30118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC=O)SCC(C(=O)O)N

Isomeric SMILES

CCCC(CC=O)SCC(C(=O)O)N

InChI

InChI=1S/C9H17NO3S/c1-2-3-7(4-5-11)14-6-8(10)9(12)13/h5,7-8H,2-4,6,10H2,1H3,(H,12,13)