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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-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-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O6/c1-12(21-20(26)23-14-6-4-3-5-7-14)19(25)29-13(2)18(24)22-15-8-9-16-17(10-15)28-11-27-16/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H2,21,23,26)/t12-,13+/m0/s1