DEGARELIX ACETATE ,934016-19-0

DEGARELIX ACETATE

基本信息
产品名称：	DEGARELIX ACETATE
CAS：	934016-19-0 ;214766-78-6
英文同义词：	DEGARELIX ; FE200486 ACETATE ; N-ACETYL-3-(2-NAPHTHYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-3-(3-PYRIDYL)-D-ALANYL-L-SERYL-4-[2,6-DIOXOHEXAHYDROPYRIMIDIN-4(S)-YLCARBOXAMIDO]-L-PHENYLALANYL-4-UREIDO-D-PHENYLALANYL-L-LEUCYL-N6-ISOPROPYL-L-LYSYL-L-PROLYL-D-ALANINAMIDE ACETATE ; DEGARELIX ACETATE
MDL号：	MFCD16879085
氢键受体数量：	34
氢键供体数量：	17
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](Cc2ccc(cc2)NC(=O)N)NC(=O)[C@H](Cc3ccc(cc3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc5cccnc5)NC(=O)[C@@H](Cc6ccc(cc6)Cl)NC(=O)[C@@H](Cc7ccc8ccccc8c7)NC(=O)C.CC(=O)O
InChi：	InChI=1S/C82H103ClN18O16.C2H4O2/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52;1-2(3)4/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117);1H3,(H,3,4)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+;/m1./s1
InChiKey：	InChIKey=AUTFSFUMNFDPLH-KYMMNHPFSA-N

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