HCV蛋白酶 - 代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

Grazoprevir hydrate

规格或纯度 :

≥99%

CAS号: 1350462-55-3 EC号: 808-306-3 Compound CID : 71576667

分子式: C₃₈H₅₂N₆O₁₀S 分子量: 784.92

IUPAC Name: (1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,See more

SMILES: CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCCC7CC7OC(=O)N1.O

InChIKey: RXSARIJMSJWJLZ-CIAYNJNFSA-N

InChI: 1S/C38H50N6O9S.H2O/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27;/h6,12See more

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Samatasvir

规格或纯度 :

Moligand™

≥99%

CAS号: 1312547-19-5 Compound CID : 58310140

分子式: C₄₇H₄₈N₈O₆S₂ 分子量: 885.06

IUPAC Name: methyl N-[(1R)-2-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]thieno[3,2-b]thiophen-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-See more

SMILES: CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=CSC5=C4SC=C5C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)NC(=O)OC

InChIKey: ATOLIHZIXHZSBA-BTSKBWHGSA-N

InChI: 1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15-27)35-23-48-42(51-35)36-12-8-20-54(36)45(57)39(53-47(59See more

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ITMN 4077

规格或纯度 :

≥99%

CAS号: 790305-05-4 Compound CID : 58798563

分子式: C₂₆H₄₀N₄O₈S 分子量: 568.68

IUPAC Name: tert-butyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-hydroxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

SMILES: CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)O)C(=O)NS(=O)(=O)C4CC4

InChIKey: MXGKXZHTCMUVEE-JXUUZEIMSA-N

InChI: 1S/C26H40N4O8S/c1-25(2,3)38-24(35)27-19-10-8-6-4-5-7-9-16-14-26(16,23(34)29-39(36,37)18-11-12-18)28-21(32)20-13-17(31)15-30(20)22(19)33/h7,9,16-20,31H,4-6,8,10-15H2,1-3H3,(H,27,35)(H,28,32)(H,29,34)/bSee more

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Valopicitabine dihydrochloride

规格或纯度 :

≥99%

CAS号: 640725-71-9 Compound CID : 11293303

分子式: C₁₅H₂₆Cl₂N₄O₆ 分子量: 429.30

SMILES: CC(C)[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@]1(C)O)N2C=CC(=NC2=O)N)CO)N.Cl.Cl

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Voxilaprevir

规格或纯度 :

≥99%

CAS号: 1535212-07-7 Compound CID : 89921642

分子式: C₄₀H₅₂F₄N₆O₉S 分子量: 868.93

SMILES: CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(C6=NC7=C(C=C(C=C7)OC)N=C6O2)(F)F)C(C)(C)C

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Guanosine, 2'-C-methyl-, 5'-(2-((3-hydroxy-2,2-dimethyl-1-oxopropyl)thio)ethyl N-(phenylmethyl)phosphoramidate)

规格或纯度 :

≥99%

CAS号: 1036915-08-8

分子式: C₂₅H₃₅N₆O₉PS 分子量: 626.600

IUPAC Name: S-[2-[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(benzylamino)phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate

SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(NCC4=CC=CC=C4)OCCSC(=O)C(C)(C)CO)O)O

InChIKey: FGHMGRXAHIXTBM-TWFJNEQDSA-N

InChI: 1S/C25H35N6O9PS/c1-24(2,13-32)22(35)42-10-9-38-41(37,28-11-15-7-5-4-6-8-15)39-12-16-18(33)25(3,36)21(40-16)31-14-27-17-19(31)29-23(26)30-20(17)34/h4-8,14,16,18,21,32-33,36H,9-13H2,1-3H3,(H,28,37)(H3,2See more

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