tert-butyl (2S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl (2S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-3-(2-tert-butoxy-2-oxo-ethoxy)propanoate CAS Name: (2S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(2-tert-butoxy-2-keto-ethoxy)propionic acid tert-butyl ester Formula: C21H31NO7 MolecularWeight: 409.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COCC(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)COC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H31NO7/c1-20(2,3)28-17(23)14-26-13-16(18(24)29-21(4,5)6)22-19(25)27-12-15-10-8-7-9-11-15/h7-11,16H,12-14H2,1-6H3,(H,22,25)/t16-/m0/s1