(phenylmethyl) 3-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-ylmethyl)-4-oxidanylidene-4-(phenethylamino)butanoate

Systemtic Name: (phenylmethyl) 3-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-ylmethyl)-4-oxidanylidene-4-(phenethylamino)butanoate Openeye Name: benzyl 3-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-ylmethyl)-4-oxo-4-(phenethylamino)butanoate CAS Name: 3-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-ylmethyl)-4-oxo-4-(phenethylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-ylmethyl)-4-oxo-4-(phenethylamino)butanoate Traditional Name: 3-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-ylmethyl)-4-keto-4-(phenethylamino)butyric acid benzyl ester Formula: C39H43N3O5 MolecularWeight: 633.77582

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)NC(CC4=CNC5=CC=CC=C54)(CC(=O)OCC6=CC=CC=C6)C(=O)NCCC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)NC(CC4=CNC5=CC=CC=C54)(CC(=O)OCC6=CC=CC=C6)C(=O)NCCC7=CC=CC=C7

InChI

InChI=1S/C39H43N3O5/c43-35(46-25-27-11-5-2-6-12-27)23-39(22-32-24-41-34-14-8-7-13-33(32)34,37(44)40-16-15-26-9-3-1-4-10-26)42-38(45)47-36-30-18-28-17-29(20-30)21-31(36)19-28/h1-14,24,28-31,36,41H,15-23,25H2,(H,40,44)(H,42,45)