4-[(3S,5S)-3-(1-adamantylmethyl)-4-ethanoyl-1-[(2-fluorophenyl)methyl]-2,7-bis(oxidanylidene)-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3S,5S)-3-(1-adamantylmethyl)-4-ethanoyl-1-[(2-fluorophenyl)methyl]-2,7-bis(oxidanylidene)-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S,5S)-4-acetyl-3-(1-adamantylmethyl)-1-[(2-fluorophenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S,5S)-4-acetyl-3-(1-adamantylmethyl)-1-[(2-fluorophenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3S,5S)-4-acetyl-3-(1-adamantylmethyl)-1-[(2-fluorophenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-4-oxobutanoic acid Traditional Name: 4-[(3S,5S)-4-acetyl-3-(1-adamantylmethyl)-1-(2-fluorobenzyl)-2,7-diketo-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-4-keto-butyric acid Formula: C35H39FN2O6 MolecularWeight: 602.692363

Click to see the large picture

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=C6F)C(=O)CCC(=O)O

Isomeric SMILES

CC(=O)N1[C@@H](CC(=O)C2=CC=CC=C2N(C(=O)[C@@H]1CC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6F)C(=O)CCC(=O)O

InChI

InChI=1S/C35H39FN2O6/c1-21(39)38-29(31(40)10-11-33(42)43)15-32(41)26-7-3-5-9-28(26)37(20-25-6-2-4-8-27(25)36)34(44)30(38)19-35-16-22-12-23(17-35)14-24(13-22)18-35/h2-9,22-24,29-30H,10-20H2,1H3,(H,42,43)/t22?,23?,24?,29-,30-,35?/m0/s1