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AG00APCS

168482-23-3 | SHU9119 (trifluoroacetate salt)

Chemical structure of SHU9119 (trifluoroacetate salt), CAS 168482-23-3
AG00APCS
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sdsCOA

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CAS Number 168482-23-3
Catalog Number AG00APCS(AGN-PC-0Q99WZ)
Chemical Name SHU9119 (trifluoroacetate salt)
IUPAC Name (3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-9-(naphthalen-2-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxamide
InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40-,41-,42+,43-,44-,45-/m0/s1
InChI Key GGYWLZFXFKFWKL-XOJVSUSESA-N
MDL Number MFCD06763563
Molecular Formula C56H72F3N15O11
Molecular Weight 1188.26
SMILES O=C([C@@H](NC([C@H](CCCC)NC(C)=O)=O)C1)N[C@@H](CC2=CN=CN2)C(N[C@H](CC3=CC=C(C=CC=C4)C4=C3)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC5=CNC6=C5C=CC=C6)C(N[C@H](C(N)=O)CCCCNC1=O)=O)=O)=O)=O.FC(F)(C(O)=O)F
Synonyms
Ac-Nle(4)-c(Asp(5)-2'-Nal(7)-Lys(10))alpha-MSH(4-10)-NH2, acetyl-norisoleucyl(4)-cyclo(aspartyl(5)-2'-naphthylalanyl(7)-lysyl(10))alpha-MSH(4-10)-amide, SHU 9119, SHU-9119, SHU9119, CHEMBL3422426, Shu-9119, 168482-23-3, BDBM50080576, AKOS024457620, Shu 9119, GGYWLZFXFKFWKL-XOJVSUSESA-N, C54H71N15O9, C54-H71-N15-O9, CID9898183, CID 9898183, Ac-Nle(4)-c(asp(5)-2'-nal(7)-lys(10))alpha-msh(4-10)-NH2, Acetyl-norisoleucyl(4)-cyclo(aspartyl(5)-2'-naphthylalanyl(7)-lysyl(10))alpha-msh(4-10)-amide, N-Acetyl-L-norleucyl-L-alpha-aspartyl-L-histidyl-3-(2-naphthalenyl)-D-alanyl-L-arginyl-L-tryptophyl-L-lysinamide cyclic (2-7)-peptide,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited