Cas no 218275-70-8 (L-Norvaline,N-acetyl-L-a-aspartyl-L-a-aspartyl-L-isoleucyl-L-valyl-L-prolyl-(9CI))

L-Norvaline,N-acetyl-L-a-aspartyl-L-a-aspartyl-L-isoleucyl-L-valyl-L-prolyl-(9CI) structure
218275-70-8 structure
Product Name:L-Norvaline,N-acetyl-L-a-aspartyl-L-a-aspartyl-L-isoleucyl-L-valyl-L-prolyl-(9CI)
CAS No:218275-70-8
MF:C31H50N6O12
MW:698.76170873642
CID:281218
PubChem ID:481421
Update Time:2025-04-19

L-Norvaline,N-acetyl-L-a-aspartyl-L-a-aspartyl-L-isoleucyl-L-valyl-L-prolyl-(9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Norvaline,N-acetyl-L-a-aspartyl-L-a-aspartyl-L-isoleucyl-L-valyl-L-prolyl-(9CI)
    • 2-{[1-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylamino)-3-carboxy-propionylamino]-3-methyl-pentanoylamino}-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid
    • Ac-D-D-I-V-P-Nva-OH
    • (S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((S)-1-carboxy-ethylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid
    • CHEMBL72695
    • BDBM3879
    • Acetyl-Asp-Asp-Ile-Val-Pro-Norvaline-OH
    • L-norvaline, N-acetyl-L-alpha-aspartyl-L-alpha-aspartyl-L-isoleucyl-L-valyl-L-prolyl-
    • (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(3S)-3-[(3S)-3-acetamido-3-formamidopropanoic acid]-3-formamidopropanoic acid]-3-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}pentanoic acid
    • L-Norvaline, N-acetyl-L-alpha-aspartyl-L-alpha-aspartyl-L-isoleucyl-L-valyl-L-prolyl- (9CI)
    • N-[{1-[N-(2-{[3-Carboxy-2-({3-carboxy-1-hydroxy-2-[(1-hydroxyethylidene)amino]propylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-3-methylpentylidene)valyl]pyrrolidin-2-yl}(hydroxy)methylidene]norvaline
    • (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
    • BDBM50071984
    • DTXSID60944431
    • Azapeptide-based compound 20
    • 218275-70-8
    • Inchi： 1S/C31H50N6O12/c1-7-10-18(31(48)49)33-28(45)21-11-9-12-37(21)30(47)24(15(3)4)35-29(46)25(16(5)8-2)36-27(44)20(14-23(41)42)34-26(43)19(13-22(39)40)32-17(6)38/h15-16,18-21,24-25H,7-14H2,1-6H3,(H,32,38)(H,33,45)(H,34,43)(H,35,46)(H,36,44)(H,39,40)(H,41,42)(H,48,49)/t16-,18-,19-,20-,21-,24-,25-/m0/s1
    • InChI Key： NELACTXYCHECFZ-DZQZDKHXSA-N
    • SMILES： O=C([C@H](C(C)C)NC([C@H]([C@@H](C)CC)NC([C@H](CC(=O)O)NC([C@H](CC(=O)O)NC(C)=O)=O)=O)=O)N1CCC[C@H]1C(N[C@H](C(=O)O)CCC)=O

Computed Properties

  • Exact Mass: 698.3489
  • Monoisotopic Mass: 698.34867105g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 20
  • Complexity: 1260
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.7
  • Topological Polar Surface Area: 278?2

Experimental Properties

  • PSA: 277.71

L-Norvaline,N-acetyl-L-a-aspartyl-L-a-aspartyl-L-isoleucyl-L-valyl-L-prolyl-(9CI) Related Literature

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