bis[4-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] benzene-1,3-dicarboxylate

Systemtic Name: bis[4-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] benzene-1,3-dicarboxylate Openeye Name: bis[4-[(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]phenyl] benzene-1,3-dicarboxylate CAS Name: benzene-1,3-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] benzene-1,3-dicarboxylate Traditional Name: benzene-1,3-dicarboxylic acid bis[4-[(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]phenyl] ester Formula: C44H40N2O12 MolecularWeight: 788.7946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC(=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=CC(=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/C44H40N2O12/c1-53-41(49)37(45-43(51)55-27-31-10-5-3-6-11-31)24-29-16-20-35(21-17-29)57-39(47)33-14-9-15-34(26-33)40(48)58-36-22-18-30(19-23-36)25-38(42(50)54-2)46-44(52)56-28-32-12-7-4-8-13-32/h3-23,26,37-38H,24-25,27-28H2,1-2H3,(H,45,51)(H,46,52)/t37-,38-/m0/s1