bis[4-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] decanedioate

Systemtic Name: bis[4-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] decanedioate Openeye Name: bis[4-[(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]phenyl] decanedioate CAS Name: decanedioic 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] decanedioate Traditional Name: sebacic acid bis[4-[(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]phenyl] ester Formula: C46H52N2O12 MolecularWeight: 824.91128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC(=O)CCCCCCCCC(=O)OC2=CC=C(C=C2)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)CCCCCCCCC(=O)OC2=CC=C(C=C2)C[C@@H](C(=O)OC)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C46H52N2O12/c1-55-43(51)39(47-45(53)57-31-35-15-9-7-10-16-35)29-33-21-25-37(26-22-33)59-41(49)19-13-5-3-4-6-14-20-42(50)60-38-27-23-34(24-28-38)30-40(44(52)56-2)48-46(54)58-32-36-17-11-8-12-18-36/h7-12,15-18,21-28,39-40H,3-6,13-14,19-20,29-32H2,1-2H3,(H,47,53)(H,48,54)/t39-,40-/m0/s1