ethyl 3-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]propanoate Openeye Name: ethyl 3-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]propanoate CAS Name: 3-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]-phenethylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]-phenethylamino]propanoate Traditional Name: 3-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]propionic acid ethyl ester Formula: C36H45N3O5 MolecularWeight: 599.7596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H45N3O5/c1-3-43-32(40)14-16-39(15-13-24-9-5-4-6-10-24)34(41)36(2,22-29-23-37-31-12-8-7-11-30(29)31)38-35(42)44-33-27-18-25-17-26(20-27)21-28(33)19-25/h4-12,23,25-28,33,37H,3,13-22H2,1-2H3,(H,38,42)