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

Systemtic Name: methyl 2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methyl-butanoate Openeye Name: methyl 2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methyl-butanoate CAS Name: 2-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methylbutanoate Traditional Name: 2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methyl-butyric acid methyl ester Formula: C13H22N4O3 MolecularWeight: 282.33878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)NCCCN1C=CN=C1

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)NCCCN1C=CN=C1

InChI

InChI=1S/C13H22N4O3/c1-10(2)11(12(18)20-3)16-13(19)15-5-4-7-17-8-6-14-9-17/h6,8-11H,4-5,7H2,1-3H3,(H2,15,16,19)