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

Systemtic Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methyl-butanoate Openeye Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methylbutanoate Traditional Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methyl-butyrate Formula: C12H19N4O3- MolecularWeight: 267.30426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)NCCCN1C=CN=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)NCCCN1C=CN=C1

InChI

InChI=1S/C12H20N4O3/c1-9(2)10(11(17)18)15-12(19)14-4-3-6-16-7-5-13-8-16/h5,7-10H,3-4,6H2,1-2H3,(H,17,18)(H2,14,15,19)/p-1/t10-/m0/s1