GANIRELIX ACETATE ,129311-55-3

GANIRELIX ACETATE

基本信息
产品名称：	GANIRELIX ACETATE
CAS：	129311-55-3
英文同义词：	GANIRELIX ACETATE ; ANTAGON ACETATE SALT ; ORGALUTRAN ACETATE SALT ; N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-3-(3-PYRIDINYL)-D-ALANYL-L-SERYL-L-TYROSYL-N6-[BIS(ETHYLAMINO)METHYLENE]-D-LYSYL-L-LEUCYL-N6-[BIS(ETHYLAMINO)METHYLENE]-L-LYSYL-L-PROLYL-D-ALANINAMIDE DIACETATE ; GANIRELIX ACETATE SALT
MDL号：	MFCD00909222
氢键受体数量：	31
氢键供体数量：	16
Smile：	CCN/C(=N\CC)/NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN/C(=N/CC)/NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(cc4)Cl)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C.CC(=O)O.CC(=O)O
InChi：	InChI=1S/C80H113ClN18O13.2C2H4O2/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54;21-2(3)4/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89);21H3,(H,3,4)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+;;/m1../s1
InChiKey：	InChIKey=OVBICQMTCPFEBS-SATRDZAXSA-N

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