Cas no 100853-58-5 (L-Isoleucinamide,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-serylglycyl-L-arginyl-L-threonylglycyl-L-arginyl-L-arginyl-L-asparaginyl-L-alanyl-(9CI))

L-Isoleucinamide,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-serylglycyl-L-arginyl-L-threonylglycyl-L-arginyl-L-arginyl-L-asparaginyl-L-alanyl-(9CI) structure
100853-58-5 structure
Product Name:L-Isoleucinamide,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-serylglycyl-L-arginyl-L-threonylglycyl-L-arginyl-L-arginyl-L-asparaginyl-L-alanyl-(9CI)
CAS No:100853-58-5
MF:C84H137N29O26
MW:1969.16529726982
CID:138767
PubChem ID:92043745
Update Time:2025-04-19

L-Isoleucinamide,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-serylglycyl-L-arginyl-L-threonylglycyl-L-arginyl-L-arginyl-L-asparaginyl-L-alanyl-(9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Isoleucinamide,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-serylglycyl-L-arginyl-L-threonylglycyl-L-arginyl-L-arginyl-L-asparaginyl-L-alanyl-(9CI)
    • cAMP Dependent PK Inhibitor (5-22), amide
    • cAMP-Dependent Protein Kinase Inhibitor-α (5-22) amide (human, mouse, rabbit, rat)
    • H-THR-THR-TYR-ALA-ASP-PHE-ILE-ALA-SER-GLY-ARG-THR-GLY-ARG-ARG-ASN-ALA-ILE-NH2
    • L-Isoleucinamide,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleu...
    • L-Isoleucinamide,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-serylglycyl-L-ar
    • PKI-Α (5-22) AMIDE (HUMAN, MOUSE, RABBIT, RAT)
    • THR-THR-TYR-ALA-ASP-PHE-ILE-ALA-SER-GLY-ARG-THR-GLY-ARG-ARG-ASN-ALA-ILE-NH2
    • CAMP-DEPENDENT PROTEIN KINASE INHIBITOR (5-22) AMIDE
    • cAMP-Dependent Protein Kinase Inhibitor (5-22),amide,Wiptide
    • PKA INHIBITOR (5-22) AMIDE
    • PKI (5-22),AMIDE
    • PKI-a (5-22) aMide (huMan,Mouse,rabbit,rat),Wiptide
    • PROTEIN KINASE A INHIBITOR (5-22) AMIDE
    • THR-THR-TYR-ALA-ASP-PHE-ILE-ALA-SER-GLY-ARG-THR-GLY-ARG-ARG-ASN-ALA-ILE-HIS-ASP: TTYADFIASGRTGRRNAIHD
    • TTYADFIASGRTGRRNAI-NH2
    • WIPTIDE
    • PKI(5-22)amide
    • 100853-58-5
    • Camp-dependent protein kinase inhibitor-alpha(5-22)amide(human,mouse,rabbit,rat)
    • Inchi: 1S/C84H137N29O26/c1-11-38(3)62(66(87)124)110-69(127)42(7)100-75(133)54(33-57(85)119)107-72(130)51(23-18-30-96-84(92)93)104-71(129)49(21-16-28-94-82(88)89)102-59(121)36-98-79(137)64(44(9)116)112-73(131)50(22-17-29-95-83(90)91)103-58(120)35-97-70(128)56(37-114)109-68(126)41(6)101-80(138)63(39(4)12-2)111-77(135)53(31-46-19-14-13-15-20-46)106-76(134)55(34-60(122)123)105-67(125)40(5)99-74(132)52(32-47-24-26-48(118)27-25-47)108-81(139)65(45(10)117)113-78(136)61(86)43(8)115/h13-15,19-20,24-27,38-45,49-56,61-65,114-118H,11-12,16-18,21-23,28-37,86H2,1-10H3,(H2,85,119)(H2,87,124)(H,97,128)(H,98,137)(H,99,132)(H,100,133)(H,101,138)(H,102,121)(H,103,120)(H,104,129)(H,105,125)(H,106,134)(H,107,130)(H,108,139)(H,109,126)(H,110,127)(H,111,135)(H,112,131)(H,113,136)(H,122,123)(H4,88,89,94)(H4,90,91,95)(H4,92,93,96)/t38-,39-,40-,41-,42-,43+,44+,45+,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-/m0/s1
    • InChI Key: SIKPRCIHSIITEH-HQAKDUOCSA-N
    • SMILES: O=C([C@H]([C@@H](C)CC)NC([C@H](CC1C=CC=CC=1)NC([C@H](CC(=O)O)NC([C@H](C)NC([C@H](CC1C=CC(=CC=1)O)NC([C@H]([C@@H](C)O)NC([C@H]([C@@H](C)O)N)=O)=O)=O)=O)=O)=O)N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@@H](C)C(N[C@H](C(N)=O)[C@@H](C)CC)=O)=O)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)=O)[C@@H](C)O)=O)CCCNC(=N)N)=O)=O)CO)=O)C

Computed Properties

  • Exact Mass: 1968.03000
  • Monoisotopic Mass: 1968.0289556g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 35
  • Hydrogen Bond Acceptor Count: 55
  • Heavy Atom Count: 139
  • Rotatable Bond Count: 83
  • Complexity: 4200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 21
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -11
  • Topological Polar Surface Area: 931?2

Experimental Properties

  • PSA: 931.05000
  • LogP: -0.76010

L-Isoleucinamide,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-serylglycyl-L-arginyl-L-threonylglycyl-L-arginyl-L-arginyl-L-asparaginyl-L-alanyl-(9CI) Pricemore >>

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L-Isoleucinamide,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-serylglycyl-L-arginyl-L-threonylglycyl-L-arginyl-L-arginyl-L-asparaginyl-L-alanyl-(9CI) Related Literature

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