ditert-butyl 2-methyl-6-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]-1-oxidanidyl-4-phenyl-pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: ditert-butyl 2-methyl-6-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]-1-oxidanidyl-4-phenyl-pyridin-1-ium-3,5-dicarboxylate Openeye Name: ditert-butyl 2-[(2S)-3-benzyloxy-2-(tert-butoxycarbonylamino)-3-oxo-propyl]-6-methyl-1-oxido-4-phenyl-pyridin-1-ium-3,5-dicarboxylate CAS Name: 2-methyl-6-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-3-phenylmethoxypropyl]-1-oxido-4-phenylpyridin-1-ium-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-methyl-6-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxypropyl]-1-oxido-4-phenylpyridin-1-ium-3,5-dicarboxylate Traditional Name: 2-[(2S)-3-benzoxy-2-(tert-butoxycarbonylamino)-3-keto-propyl]-6-methyl-1-oxido-4-phenyl-pyridin-1-ium-3,5-dicarboxylic acid ditert-butyl ester Formula: C37H46N2O9 MolecularWeight: 662.76914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C(=C1C(=O)OC(C)(C)C)C2=CC=CC=C2)C(=O)OC(C)(C)C)CC(C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)[O-]

Isomeric SMILES

CC1=[N+](C(=C(C(=C1C(=O)OC(C)(C)C)C2=CC=CC=C2)C(=O)OC(C)(C)C)C[C@@H](C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)[O-]

InChI

InChI=1S/C37H46N2O9/c1-23-28(32(41)46-35(2,3)4)29(25-19-15-12-16-20-25)30(33(42)47-36(5,6)7)27(39(23)44)21-26(38-34(43)48-37(8,9)10)31(40)45-22-24-17-13-11-14-18-24/h11-20,26H,21-22H2,1-10H3,(H,38,43)/t26-/m0/s1