(phenylmethyl) (3R)-4-(3,5-dimethylpyrazol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3R)-4-(3,5-dimethylpyrazol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3R)-3-(tert-butoxycarbonylamino)-4-(3,5-dimethylpyrazol-1-yl)-4-oxo-butanoate CAS Name: (3R)-4-(3,5-dimethyl-1-pyrazolyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-4-(3,5-dimethylpyrazol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (3R)-3-(tert-butoxycarbonylamino)-4-(3,5-dimethylpyrazol-1-yl)-4-keto-butyric acid benzyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=NN1C(=O)[C@@H](CC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H27N3O5/c1-14-11-15(2)24(23-14)19(26)17(22-20(27)29-21(3,4)5)12-18(25)28-13-16-9-7-6-8-10-16/h6-11,17H,12-13H2,1-5H3,(H,22,27)/t17-/m1/s1