methyl 2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(3-imidazol-1-ylpropylcarbamoylamino)-4-(methylthio)butyric acid methyl ester Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCCCN1C=CN=C1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCCCN1C=CN=C1

InChI

InChI=1S/C13H22N4O3S/c1-20-12(18)11(4-9-21-2)16-13(19)15-5-3-7-17-8-6-14-10-17/h6,8,10-11H,3-5,7,9H2,1-2H3,(H2,15,16,19)