tert-butyl 2-[(3S,5E)-5-(acetyloxymethylidene)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3S,5E)-5-(acetyloxymethylidene)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3S,5E)-5-(acetoxymethylene)-3-(benzyloxycarbonylamino)-2-oxo-pyrrolidin-1-yl]acetate CAS Name: 2-[(3S,5E)-5-(acetyloxymethylidene)-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3S,5E)-5-(acetyloxymethylidene)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]acetate Traditional Name: 2-[(3S,5E)-5-(acetoxymethylene)-3-(benzyloxycarbonylamino)-2-keto-pyrrolidino]acetic acid tert-butyl ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC=C1CC(C(=O)N1CC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)O/C=C/1\C[C@@H](C(=O)N1CC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O7/c1-14(24)28-13-16-10-17(19(26)23(16)11-18(25)30-21(2,3)4)22-20(27)29-12-15-8-6-5-7-9-15/h5-9,13,17H,10-12H2,1-4H3,(H,22,27)/b16-13+/t17-/m0/s1