[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CNC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CNC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H19N3O7/c1-8(2)13(15(22)19-16(17)23)26-12(20)6-18-14(21)9-3-4-10-11(5-9)25-7-24-10/h3-5,8,13H,6-7H2,1-2H3,(H,18,21)(H3,17,19,22,23)/t13-/m1/s1