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

Systemtic Name: 3-[(3S,5S)-3-(1-adamantylmethyl)-4-ethanoyl-1-[(2-fluorophenyl)methyl]-2,7-bis(oxidanylidene)-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[(3S,5S)-4-acetyl-3-(1-adamantylmethyl)-1-[(2-fluorophenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-3-oxo-propanoic acid CAS Name: 3-[(3S,5S)-4-acetyl-3-(1-adamantylmethyl)-1-[(2-fluorophenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-3-oxopropanoic acid IUPAC Name: 3-[(3S,5S)-4-acetyl-3-(1-adamantylmethyl)-1-[(2-fluorophenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-3-oxopropanoic acid Traditional Name: 3-[(3S,5S)-4-acetyl-3-(1-adamantylmethyl)-1-(2-fluorobenzyl)-2,7-diketo-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-3-keto-propionic acid Formula: C34H37FN2O6 MolecularWeight: 588.665783

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)CC(=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)CC(=O)O

InChI

InChI=1S/C34H37FN2O6/c1-20(38)37-28(31(40)14-32(41)42)13-30(39)25-7-3-5-9-27(25)36(19-24-6-2-4-8-26(24)35)33(43)29(37)18-34-15-21-10-22(16-34)12-23(11-21)17-34/h2-9,21-23,28-29H,10-19H2,1H3,(H,41,42)/t21?,22?,23?,28-,29-,34?/m0/s1