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

Systemtic Name: bis[4-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] adamantane-1,3-dicarboxylate Openeye Name: bis[4-[(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]phenyl] adamantane-1,3-dicarboxylate CAS Name: adamantane-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] adamantane-1,3-dicarboxylate Traditional Name: adamantane-1,3-dicarboxylic acid bis[4-[(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]phenyl] ester Formula: C48H50N2O12 MolecularWeight: 846.9168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC5=CC=C(C=C5)CC(C(=O)OC)NC(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC5=CC=C(C=C5)C[C@@H](C(=O)OC)NC(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C48H50N2O12/c1-57-41(51)39(49-45(55)59-28-33-9-5-3-6-10-33)22-31-13-17-37(18-14-31)61-43(53)47-24-35-21-36(25-47)27-48(26-35,30-47)44(54)62-38-19-15-32(16-20-38)23-40(42(52)58-2)50-46(56)60-29-34-11-7-4-8-12-34/h3-20,35-36,39-40H,21-30H2,1-2H3,(H,49,55)(H,50,56)/t35?,36?,39-,40-,47?,48?/m0/s1