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6 项目

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  1. PKI 14-22 酰胺,肉豆蔻酰化 TFA盐
    CAS号 : 201422-03-9        Compound CID : 71312213
    分子式: C53H100N20O12(free)        分子量: 1209.49(free)
    IUPAC Name: (2S)-N-[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[[(2S,3R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(tetradecanoylamino)acetyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanoyl]amino]pentanoyl]amino]butanediamide
    SMILES: CCCCCCCCCCCCCC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)N
    InChIKey: GQPQKQWUUHDDIS-JDLJUXOTSA-N
    InChI: InChI=1S/C53H100N20O12/c1-6-8-9-10-11-12-13-14-15-16-17-24-39(76)65-29-40(77)69-35(22-19-26-63-52(58)59)48(83)73-43(33(5)74)50(85)66-30-41(78)68-34(21-18-25-62-51(56)57)46(81)70-36(23-20-27-64-53(60)61)47(82)71-37(28-38(54)75)49(84)67-32(4)45(80)72-42(44(55)79)31(3)7-2/h31-37,42-43,74H,6-30H2,1-5H3,(H2,54,75)(H2,55,79)(H,65,76)(H,66,85)(H,67,84)(H,68,78)(H,69,77)(H,70,81)(H,71,82)(H,72,80)(H,73,83)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t31-,32-,33+,34-,35-,36-,37-,42-,43-/m0/s1
  2. Pam2CSK4,TLR2 / 6激动剂
    CAS号 : 868247-72-7        Compound CID : 71457280
    分子式: C65H126N10O12S        分子量: 1271.83
    IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
    SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC
    InChIKey: LJUIOEFZFQRWJG-GHYFRYPYSA-N
    InChI: InChI=1S/C65H126N10O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-58(77)86-48-51(87-59(78)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49-88-50-52(70)60(79)75-57(47-76)64(83)73-54(38-30-34-44-67)62(81)71-53(37-29-33-43-66)61(80)72-55(39-31-35-45-68)63(82)74-56(65(84)85)40-32-36-46-69/h51-57,76H,3-50,66-70H2,1-2H3,(H,71,81)(H,72,80)(H,73,83)(H,74,82)(H,75,79)(H,84,85)/t51-,52+,53+,54+,55+,56+,57+/m1/s1
  3. E 2012,γ-分泌酶调节剂
    CAS号 : 870843-42-8        Compound CID : 11560787
    分子式: C25H26FN3O2        分子量: 419.49
    IUPAC Name: (3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
    SMILES: CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3CCCN(C3=O)C(C)C4=CC=C(C=C4)F)OC
    InChIKey: PUOAETJYKQITMO-LANLRWRYSA-N
    InChI: InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1
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