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

Systemtic Name: (2S,3S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methyl-pentanoate Openeye Name: (2S,3S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylpentanoate Traditional Name: (2S,3S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methyl-valerate Formula: C14H17N2O5- MolecularWeight: 293.29518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-3-8(2)12(13(17)18)16-14(19)15-9-4-5-10-11(6-9)21-7-20-10/h4-6,8,12H,3,7H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t8-,12-/m0/s1