2-[(2-cyclopropylethylcarbamoylamino)methyl]-4-ethanoylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-cyclopropylethylcarbamoylamino)methyl]-4-ethanoylsulfanyl-butanoic acid Openeye Name: 4-acetylsulfanyl-2-[(2-cyclopropylethylcarbamoylamino)methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[(2-cyclopropylethylamino)-oxomethyl]amino]methyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[(2-cyclopropylethylcarbamoylamino)methyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[(2-cyclopropylethylcarbamoylamino)methyl]butyric acid Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CNC(=O)NCCC1CC1)C(=O)O

Isomeric SMILES

CC(=O)SCCC(CNC(=O)NCCC1CC1)C(=O)O

InChI

InChI=1S/C13H22N2O4S/c1-9(16)20-7-5-11(12(17)18)8-15-13(19)14-6-4-10-2-3-10/h10-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19)