4-[[2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-quinolin-4-yl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-quinolin-4-yl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-(4-quinolyl)propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2-[[2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-1-oxo-3-(4-quinolinyl)propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-quinolin-4-ylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-(4-quinolyl)propanoyl]amino]-1-phenyl-ethyl]amino]-4-keto-butyric acid Formula: C36H42N4O6 MolecularWeight: 626.74188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=NC2=CC=CC=C12)(C(=O)NCC(C3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(CC1=CC=NC2=CC=CC=C12)(C(=O)NCC(C3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C36H42N4O6/c1-36(20-25-13-14-37-29-10-6-5-9-28(25)29,40-35(45)46-33-26-16-22-15-23(18-26)19-27(33)17-22)34(44)38-21-30(24-7-3-2-4-8-24)39-31(41)11-12-32(42)43/h2-10,13-14,22-23,26-27,30,33H,11-12,15-21H2,1H3,(H,38,44)(H,39,41)(H,40,45)(H,42,43)