[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (2R)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (2R)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (2R)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2R)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic 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] (2R)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2R)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)[C@@H](C(C)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O6/c1-15(2)22(26-21(27)12-17-7-5-4-6-8-17)24(29)32-16(3)23(28)25-13-18-9-10-19-20(11-18)31-14-30-19/h4-11,15-16,22H,12-14H2,1-3H3,(H,25,28)(H,26,27)/t16-,22-/m1/s1