[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-[(2,5-dimethyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3)C

InChI

InChI=1S/C21H22N4O5/c1-14-11-18(25(2)24-14)23-19(26)13-30-21(28)16(12-15-7-4-3-5-8-15)22-20(27)17-9-6-10-29-17/h3-11,16H,12-13H2,1-2H3,(H,22,27)(H,23,26)/t16-/m0/s1