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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]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] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O6/c1-13(23-21(27)24-16-6-4-3-5-7-16)20(26)30-14(2)19(25)22-11-15-8-9-17-18(10-15)29-12-28-17/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)(H2,23,24,27)/t13-,14+/m0/s1