(1R,2R)-N-[[[6-(2-羧基-2,3-二氢-1H-异吲哚-4-基)-2,2-二甲基己基]氧]羰基]-3-甲基-L-缬氨酰-(4R)-4-羟基-L-脯氨酰-1-氨基-N-(环丙基磺酰基)-2-乙基环丙甲酰胺 (1-2)-内酯

pro_cas
923590-37-8
pro_cdbregno
CCD02500406
pro_formula
C38 H55 N5 O9 S
pro_molWeight
757.945

basic_info

Product_Name: (1R,2R)-N-[[[6-(2-羧基-2,3-二氢-1H-异吲哚-4-基)-2,2-二甲基己基]氧]羰基]-3-甲基-L-缬氨酰-(4R)-4-羟基-L-脯氨酰-1-氨基-N-(环丙基磺酰基)-2-乙基环丙甲酰胺 (1-2)-内酯
CAS: 923590-37-8
中文同义词: (1R,2R)-N-[[[6-(2-羧基-2,3-二氢-1H-异吲哚-4-基)-2,2-二甲基己基]氧]羰基]-3-甲基-L-缬氨酰-(4R)-4-羟基-L-脯氨酰-1-氨基-N-(环丙基磺酰基)-2-乙基环丙甲酰胺 (1-2)-内酯
EnglishSynonyms: VANIPREVIR ; (1R,2R)-N-[[[6-(2-CARBOXY-2,3-DIHYDRO-1H-ISOINDOL-4-YL)-2,2-DIMETHYLHEXYL]OXY]CARBONYL]-3-METHYL-L-VALYL-(4R)-4-HYDROXY-L-PROLYL-1-AMINO-N-(CYCLOPROPYLSULFONYL)-2-ETHYLCYCLOPROPANECARBOXAMIDE (1-2)-LACTONE
pro_mdlNumber: MFCD16038911
pro_acceptors: 14
pro_donors: 3
pro_smile: CC[C@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C
InChi: InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26+,29-,30+,38+/m0/s1
InChiKey: InChIKey=KUQWGLQLLVFLSM-CXMMALMNSA-N

property

secure_info

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