小分子和化合物库

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7 项目

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  1. 美伐他汀
    CAS号: 73573-88-3
    分子式: C23H34O5        分子量: 390.51
    IUPAC Name: [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
    SMILES: CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O
    InChIKey: AJLFOPYRIVGYMJ-INTXDZFKSA-N
    InChI: 1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
  2. β-内啡肽,人
    CAS号: 61214-51-5        Compound CID : 16132316
    分子式: C158H251N39O46S        分子量: 3464.98
    IUPAC Name: (2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)See more
    SMILES: CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC2=CCSee more
    InChIKey: JMHFFDIMOUKDCZ-NTXHZHDSSA-N
    InChI: 1S/C158H251N39O46S/c1-17-84(9)126(153(237)182-102(44-29-34-65-163)137(221)186-112(74-118(166)206)142(226)171-86(11)131(215)183-110(73-94-48-52-96(204)53-49-94)146(230)177-99(41-26-31-62-160)135(219)17See more
  3. N-(4-乙酰基苯基)-2-[4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)苯氧基]乙酰胺
    CAS号: 264622-53-9
    分子式: C27H29N5O5        分子量: 503.56
    IUPAC Name: N-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
    SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)C
    InChIKey: ZKUCFFYOQOJLGT-UHFFFAOYSA-N
    InChI: 1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)
  4. MRS 5698,A3激动剂
    CAS号: 1377273-00-1        Compound CID : 57523213
    分子式: C₂₈H₂₃ClF₂N₆O₃        分子量: 564.97
    IUPAC Name: (1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-[2-(3,4-difluorophenyl)ethynyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
    SMILES: CNC(=O)C12CC1C(C(C2O)O)N3C=NC4=C(N=C(N=C43)C#CC5=CC(=C(C=C5)F)F)NCC6=CC(=CC=C6)Cl
    InChIKey: LYLLLJJYBWLGHW-CIZVZKTGSA-N
    InChI: 1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)See more
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