3-[2-(octanoylamino)ethylsulfanyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-(octanoylamino)ethylsulfanyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-(octanoylamino)ethylsulfanyl]-3-oxo-propanoic acid CAS Name: 3-oxo-3-[2-(1-oxooctylamino)ethylthio]propanoic acid IUPAC Name: 3-[2-(octanoylamino)ethylsulfanyl]-3-oxopropanoic acid Traditional Name: 3-[2-(caprylylamino)ethylthio]-3-keto-propionic acid Formula: C13H23NO4S MolecularWeight: 289.39102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCSC(=O)CC(=O)O

Isomeric SMILES

CCCCCCCC(=O)NCCSC(=O)CC(=O)O

InChI

InChI=1S/C13H23NO4S/c1-2-3-4-5-6-7-11(15)14-8-9-19-13(18)10-12(16)17/h2-10H2,1H3,(H,14,15)(H,16,17)