[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C23H20N2O7 MolecularWeight: 436.4141

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H20N2O7/c26-21(24-16-8-9-18-20(12-16)32-14-31-18)13-30-23(28)17(11-15-5-2-1-3-6-15)25-22(27)19-7-4-10-29-19/h1-10,12,17H,11,13-14H2,(H,24,26)(H,25,27)/t17-/m0/s1