[1-(1-adamantyl)-2-methoxy-2-oxidanylidene-ethyl] 2-(phenylmethoxycarbonylamino)-3-(5-phenylmethoxycarbonyloxy-1H-indol-3-yl)propanoate

Systemtic Name: [1-(1-adamantyl)-2-methoxy-2-oxidanylidene-ethyl] 2-(phenylmethoxycarbonylamino)-3-(5-phenylmethoxycarbonyloxy-1H-indol-3-yl)propanoate Openeye Name: [1-(1-adamantyl)-2-methoxy-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-(5-benzyloxycarbonyloxy-1H-indol-3-yl)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)-3-(5-phenylmethoxycarbonyloxy-1H-indol-3-yl)propanoic acid [1-(1-adamantyl)-2-methoxy-2-oxoethyl] ester IUPAC Name: [1-(1-adamantyl)-2-methoxy-2-oxoethyl] 2-(phenylmethoxycarbonylamino)-3-(5-phenylmethoxycarbonyloxy-1H-indol-3-yl)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(5-carbobenzoxyoxy-1H-indol-3-yl)propionic acid [1-(1-adamantyl)-2-keto-2-methoxy-ethyl] ester Formula: C40H42N2O9 MolecularWeight: 694.76948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C12CC3CC(C1)CC(C3)C2)OC(=O)C(CC4=CNC5=C4C=C(C=C5)OC(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

Isomeric SMILES

COC(=O)C(C12CC3CC(C1)CC(C3)C2)OC(=O)C(CC4=CNC5=C4C=C(C=C5)OC(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C40H42N2O9/c1-47-37(44)35(40-19-27-14-28(20-40)16-29(15-27)21-40)51-36(43)34(42-38(45)48-23-25-8-4-2-5-9-25)17-30-22-41-33-13-12-31(18-32(30)33)50-39(46)49-24-26-10-6-3-7-11-26/h2-13,18,22,27-29,34-35,41H,14-17,19-21,23-24H2,1H3,(H,42,45)