[(2S,3R)-1-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-3-phenyl-propan-2-yl] benzoate

Systemtic Name: [(2S,3R)-1-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-3-phenyl-propan-2-yl] benzoate Openeye Name: [(1S)-1-[(R)-(tert-butoxycarbonylamino)-phenyl-methyl]-2-methoxy-2-oxo-ethyl] benzoate CAS Name: benzoic acid [(2S,3R)-1-methoxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropan-2-yl] ester IUPAC Name: [(2S,3R)-1-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-3-phenylpropan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(R)-(tert-butoxycarbonylamino)-phenyl-methyl]-2-keto-2-methoxy-ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(C(=O)OC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](C1=CC=CC=C1)[C@@H](C(=O)OC)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO6/c1-22(2,3)29-21(26)23-17(15-11-7-5-8-12-15)18(20(25)27-4)28-19(24)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3,(H,23,26)/t17-,18+/m1/s1