(2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methyl-butanoate

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methyl-butanoate Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylbutanoate Traditional Name: (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methyl-butyrate Formula: C13H15N2O5- MolecularWeight: 279.2686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H16N2O5/c1-7(2)11(12(16)17)15-13(18)14-8-3-4-9-10(5-8)20-6-19-9/h3-5,7,11H,6H2,1-2H3,(H,16,17)(H2,14,15,18)/p-1/t11-/m0/s1