[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C19H26N2O7/c1-12(27-16(22)7-8-20-18(24)28-19(2,3)4)17(23)21-10-13-5-6-14-15(9-13)26-11-25-14/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,20,24)(H,21,23)/t12-/m1/s1