ethyl 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-4-oxo-butanoate CAS Name: 4-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methylpropyl]-phenethylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropyl]-phenethylamino]-4-oxobutanoate Traditional Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-4-keto-butyric acid ethyl ester Formula: C37H47N3O5 MolecularWeight: 613.78618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CCC1=CC=CC=C1)CC(C)(CC2=CNC3=CC=CC=C32)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CCOC(=O)CCC(=O)N(CCC1=CC=CC=C1)CC(C)(CC2=CNC3=CC=CC=C32)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C37H47N3O5/c1-3-44-34(42)14-13-33(41)40(16-15-25-9-5-4-6-10-25)24-37(2,22-30-23-38-32-12-8-7-11-31(30)32)39-36(43)45-35-28-18-26-17-27(20-28)21-29(35)19-26/h4-12,23,26-29,35,38H,3,13-22,24H2,1-2H3,(H,39,43)