bis[4-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] pyridine-2,6-dicarboxylate

Systemtic Name: bis[4-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] pyridine-2,6-dicarboxylate Openeye Name: bis[4-[(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]phenyl] pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis[4-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl] ester IUPAC Name: bis[4-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl] pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis[4-[(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]phenyl] ester Formula: C43H39N3O12 MolecularWeight: 789.78266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=NC(=CC=C2)C(=O)OC3=CC=C(C=C3)CC(C(=O)OC)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)C2=NC(=CC=C2)C(=O)OC3=CC=C(C=C3)C[C@@H](C(=O)OC)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C43H39N3O12/c1-53-38(47)36(45-42(51)55-26-30-10-5-3-6-11-30)24-28-16-20-32(21-17-28)57-40(49)34-14-9-15-35(44-34)41(50)58-33-22-18-29(19-23-33)25-37(39(48)54-2)46-43(52)56-27-31-12-7-4-8-13-31/h3-23,36-37H,24-27H2,1-2H3,(H,45,51)(H,46,52)/t36-,37-/m0/s1