Desglugastrin

Molecular Formula: C₄₉H₆₁N₉O₁₃

InChI: InChI=1/C49H61N9O13/c1-27(2)20-36(47(69)58-39(24-43(64)65)49(71)55-35(44(50)66)21-29-10-5-4-6-11-29)57-48(70)38(23-31-25-51-34-13-8-7-12-33(31)34)54-41(61)26-52-46(68)37(22-30-16-18-32(59)19-17-30)56-45(67)28(3)53-40(60)14-9-15-42(62)63/h4-8,10-13,16-19,25,27-28,35-39,51,59H,9,14-15,20-24,26H2,1-3H3,(H2,50,66)(H,52,68)(H,53,60)(H,54,61)(H,55,71)(H,56,67)(H,57,70)(H,58,69)(H,62,63)(H,64,65)/t28-,35-,36-,37-,38-,39-/m0/s1/f/h52-58,62,64H,50H2

InChIKey: InChIKey=BRUVESZIOCJLDB-ITTSBPPADD
SMILES: CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C)NC(=O)CCCC(=O)O

Names:
    Desglugastrina [INN-Spanish]
    Desglugastrine [INN-French]
    Desglugastrinum [INN-Latin]
    Desglugastrin [INN]
    Desglugastrin
    N-(4-Carboxybutyryl)-L-alanyl-L-tyrosylglycyl-L-tryptophyl-L-leucyl-L-alpha-aspartylphenyl-L-alaninamide
    4-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-2-phenyl-ethyl]carbamoyl]-2-carboxy-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoylmethylcarbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]ethyl]carbamoyl]butanoic acid
    51987-65-6

Registries:
    PubChem CID 68687
    PubChem ID 210816