ethyl 7-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-7-oxidanylidene-heptanoate

Systemtic Name: ethyl 7-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-7-oxidanylidene-heptanoate Openeye Name: ethyl 7-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-7-oxo-heptanoate CAS Name: 7-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methylpropyl]-phenethylamino]-7-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 7-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropyl]-phenethylamino]-7-oxoheptanoate Traditional Name: 7-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-7-keto-enanthic acid ethyl ester Formula: C40H53N3O5 MolecularWeight: 655.86592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H53N3O5/c1-3-47-37(45)17-9-5-8-16-36(44)43(19-18-28-12-6-4-7-13-28)27-40(2,25-33-26-41-35-15-11-10-14-34(33)35)42-39(46)48-38-31-21-29-20-30(23-31)24-32(38)22-29/h4,6-7,10-15,26,29-32,38,41H,3,5,8-9,16-25,27H2,1-2H3,(H,42,46)