Ditekiren

Molecular Formula: C₅₀H₇₅N₉O₈

InChI: InChI=1/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37-,38-,39-,40-,41-,42-,43-/m0/s1/f/h53-57H

InChIKey: InChIKey=SASWSEQJAITMKS-OLEOOVFFDA
SMILES: CCC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C(CC(C(CC(C)C)NC(=O)C(CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)OC(C)(C)C)O)C(C)C

Names:
    Ditekirene [INN-French]
    Ditekirenum [INN-Latin]
    Ditekiren [USAN:INN]
    Ditekiren
    Ditiquireno [INN-Spanish]
    L-Histidinamide, 1-((1,1-dimethylethoxy)carbonyl)-L-prolyl-L-phenylalanyl-N-(2-hydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylemthyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-Nalpha-methyl-, (1S-(1R*,2R*,4R*(1R*,2R*)))-
    L-Histidinamide, 1-((1,1-dimethylethoxy)carbonyl)-L-prolyl-L-phenylalanyl-N-(2-hydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-N(sup alpha)-methyl-, (1S-(1R*,2R*,4R*(1R*,2R*)))-
    tert-Butyl (2S)-2-(((alphaS)-alpha-(((1S)-1-(((1S,2S,4S)-2-hydroxy-1-isobutyl-5-methyl-4-(((1S,2S)-2-methyl-1-((2-pyridylmethyl)carbamoyl)butyl)carbamoyl)hexyl)carbamoyl)-2-imidazol-4-ylethyl)methylcarbamoyl)phenethyl)carbamoyl)-1-pyrrolidinecarboxylate
    tert-butyl (2S)-2-[[(1S)-1-[[(1S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(1S,2S)-2-methyl-1-(pyridin-2-ylmethylcarbamoyl)butyl]carbamoyl]nonan-4-yl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]-methyl-carbamoyl]-2-phenyl-ethyl]carbamoyl]pyrrolidine-1-carboxylate
    103336-05-6

Registries:
    PubChem CID 5464201
    PubChem ID 210863