2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(3-imidazol-1-ylpropylcarbamoylamino)-4-(methylthio)butyric acid Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCCCN1C=CN=C1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NCCCN1C=CN=C1

InChI

InChI=1S/C12H20N4O3S/c1-20-8-3-10(11(17)18)15-12(19)14-4-2-6-16-7-5-13-9-16/h5,7,9-10H,2-4,6,8H2,1H3,(H,17,18)(H2,14,15,19)