2-[[3-(1-adamantylmethyl)-4-ethanoyl-2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[[3-(1-adamantylmethyl)-4-ethanoyl-2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[4-acetyl-3-(1-adamantylmethyl)-1-benzyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[4-acetyl-3-(1-adamantylmethyl)-2,7-dioxo-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[4-acetyl-3-(1-adamantylmethyl)-1-benzyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[4-acetyl-3-(1-adamantylmethyl)-1-benzyl-2,7-diketo-5,6-dihydro-3H-1,4-benzodiazonine-5-carbonyl]amino]-2-methyl-propionic acid Formula: C36H43N3O6 MolecularWeight: 613.74312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6)C(=O)NC(C)(C)C(=O)O

Isomeric SMILES

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6)C(=O)NC(C)(C)C(=O)O

InChI

InChI=1S/C36H43N3O6/c1-22(40)39-29(32(42)37-35(2,3)34(44)45)16-31(41)27-11-7-8-12-28(27)38(21-23-9-5-4-6-10-23)33(43)30(39)20-36-17-24-13-25(18-36)15-26(14-24)19-36/h4-12,24-26,29-30H,13-21H2,1-3H3,(H,37,42)(H,44,45)