1-(3-methylsulfanylpropanoylamino)cycloheptane-1-carboxylic acid

Systemtic Name: 1-(3-methylsulfanylpropanoylamino)cycloheptane-1-carboxylic acid Openeye Name: 1-(3-methylsulfanylpropanoylamino)cycloheptanecarboxylic acid CAS Name: 1-[[3-(methylthio)-1-oxopropyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-(3-methylsulfanylpropanoylamino)cycloheptane-1-carboxylic acid Traditional Name: 1-[3-(methylthio)propanoylamino]cycloheptanecarboxylic acid Formula: C12H21NO3S MolecularWeight: 259.36504

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1(CCCCCC1)C(=O)O

Isomeric SMILES

CSCCC(=O)NC1(CCCCCC1)C(=O)O

InChI

InChI=1S/C12H21NO3S/c1-17-9-6-10(14)13-12(11(15)16)7-4-2-3-5-8-12/h2-9H2,1H3,(H,13,14)(H,15,16)