Cas no 118896-98-3 (L-Lysine,1,1'-[[(carboxymethyl)imino]di-2,1-ethanediyl]bis[N-(carboxymethyl)glycyl-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-(9CI))

L-Lysine,1,1'-[[(carboxymethyl)imino]di-2,1-ethanediyl]bis[N-(carboxymethyl)glycyl-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-(9CI) structure
118896-98-3 structure
Product Name:L-Lysine,1,1'-[[(carboxymethyl)imino]di-2,1-ethanediyl]bis[N-(carboxymethyl)glycyl-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-(9CI)
CAS No:118896-98-3
MF:C46H75N11O16S2
MW:1102.28180909157
CID:132007
PubChem ID:57654073
Update Time:2025-04-19

L-Lysine,1,1'-[[(carboxymethyl)imino]di-2,1-ethanediyl]bis[N-(carboxymethyl)glycyl-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-(9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Lysine,1,1'-[[(carboxymethyl)imino]di-2,1-ethanediyl]bis[N-(carboxymethyl)glycyl-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-(9CI)
    • Diethylenetriaminepentaacetic acid α,ω-bis(biocytinamide)
    • L-Lysine,1,1'-[[(carboxymethyl)imino]di-2,1-ethanediyl]bis[N-(carboxymethyl)glycyl-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thi
    • L-Lysine,1,1'-[[(carboxymethyl)imino]di-2,1-ethanediyl]bis[N-(carboxymethyl)glycyl-N6-[5-[(3aS...
    • DIETHYLENETRIAMINEPENTAACETIC ACID ALPHA,OMEGA-BIS(BIOCYTINAMIDE)
    • diethylenetriaminepentaacetic acid*A,omega-bis(bi
    • DIETHYLENETRIAMINEPENTAACETIC ACIDA,OMEG A-BIS(BIOC
    • Diethylenetriaminepentaacetic acid alpha, ?-bis(biocytinamide)
    • DTXSID50391970
    • J-003903
    • 118896-98-3
    • Diethylenetriaminepentaacetic acid alpha , omega -bis(biocytinamide)
    • Diethylenetriaminepentaacetic acid alpha,omega-bis(biocytinamide), >=95% (TLC)
    • 2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[1-carboxy-5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentyl]amino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid
    • 6,9,12-tris(carboxymethyl)-4,14-dioxo-2,16-bis(4-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}butyl)-3,6,9,12,15-pentaazaheptadecane-1,17-dioic acid (non-preferred name)
    • Inchi： 1S/C46H75N11O16S2/c58-34(13-3-1-11-32-41-30(26-74-32)51-45(72)53-41)47-15-7-5-9-28(43(68)69)49-36(60)21-56(24-39(64)65)19-17-55(23-38(62)63)18-20-57(25-40(66)67)22-37(61)50-29(44(70)71)10-6-8-16-48-35(59)14-4-2-12-33-42-31(27-75-33)52-46(73)54-42/h28-33,41-42H,1-27H2,(H,47,58)(H,48,59)(H,49,60)(H,50,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H2,51,53,72)(H2,52,54,73)
    • InChI Key： LKGHKLSIBPOASY-UHFFFAOYSA-N
    • SMILES： S1CC2C(C1CCCCC(NCCCCC(C(=O)O)NC(CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(NC(C(=O)O)CCCCNC(CCCCC1C3C(CS1)NC(N3)=O)=O)=O)=O)=O)NC(N2)=O

Computed Properties

  • Exact Mass: 1073.45000
  • Monoisotopic Mass: 1101.483
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 75
  • Rotatable Bond Count: 40
  • Complexity: 1860
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -7.9
  • Topological Polar Surface Area: 446?2

Experimental Properties

  • Density: 1.35
  • Boiling Point: 1485.7°C at 760 mmHg
  • Flash Point: 852.3°C
  • Refractive Index: 1.576
  • PSA: 445.48000
  • LogP: 0.40820

L-Lysine,1,1'-[[(carboxymethyl)imino]di-2,1-ethanediyl]bis[N-(carboxymethyl)glycyl-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-(9CI) Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302-H312-H332
  • Warning Statement： P280
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 20/21/22
  • Safety Instruction： S36
  • Hazardous Material Identification： Xn
  • Storage Condition：2-8°C
  • Risk Phrases：R20/21/22

L-Lysine,1,1'-[[(carboxymethyl)imino]di-2,1-ethanediyl]bis[N-(carboxymethyl)glycyl-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-(9CI) Pricemore >>

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L-Lysine,1,1'-[[(carboxymethyl)imino]di-2,1-ethanediyl]bis[N-(carboxymethyl)glycyl-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-(9CI) Related Literature

118896-98-3 (L-Lysine,1,1'-[[(carboxymethyl)imino]di-2,1-ethanediyl]bis[N-(carboxymethyl)glycyl-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-(9CI)) Related Products

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