2-[(but-3-enylcarbamoylamino)methyl]-4-ethanoylsulfanyl-butanoic acid

Systemtic Name: 2-[(but-3-enylcarbamoylamino)methyl]-4-ethanoylsulfanyl-butanoic acid Openeye Name: 4-acetylsulfanyl-2-[(but-3-enylcarbamoylamino)methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[(but-3-enylamino)-oxomethyl]amino]methyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[(but-3-enylcarbamoylamino)methyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[(but-3-enylcarbamoylamino)methyl]butyric acid Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CNC(=O)NCCC=C)C(=O)O

Isomeric SMILES

CC(=O)SCCC(CNC(=O)NCCC=C)C(=O)O

InChI

InChI=1S/C12H20N2O4S/c1-3-4-6-13-12(18)14-8-10(11(16)17)5-7-19-9(2)15/h3,10H,1,4-8H2,2H3,(H,16,17)(H2,13,14,18)