methyl (2S)-2-fluoranyl-3-oxidanylidene-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]butanoate

Systemtic Name: methyl (2S)-2-fluoranyl-3-oxidanylidene-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]butanoate Openeye Name: methyl (2S)-2-[benzyloxycarbonyl(benzyloxycarbonylamino)amino]-2-fluoro-3-oxo-butanoate CAS Name: (2S)-2-fluoro-3-oxo-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-fluoro-3-oxo-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]butanoate Traditional Name: (2S)-2-[benzyloxycarbonylamino(carbobenzoxy)amino]-2-fluoro-3-keto-butyric acid methyl ester Formula: C21H21FN2O7 MolecularWeight: 432.399043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)OC)(N(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)F

Isomeric SMILES

CC(=O)[C@](C(=O)OC)(N(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)F

InChI

InChI=1S/C21H21FN2O7/c1-15(25)21(22,18(26)29-2)24(20(28)31-14-17-11-7-4-8-12-17)23-19(27)30-13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3,(H,23,27)/t21-/m1/s1