GANIRELIX ,124904-93-4 _Chemical Cloud Database

GANIRELIX

Basic Information
Product Name：	GANIRELIX
CAS：	124904-93-4 ;123246-29-7 ;129311-55-3
English Synonyms：	GANIRELIX ; ANTAGON ; GANIRELIXUM ; AC-DNAL-DCPA-DPAL-SER-TYR-DHAR(ET2)-LEU-HAR(ET2)-PRO-DALA-NH2 ; ORGALUTRAN
MDL Number.：	MFCD00869671
H bond acceptor：	31
H bond donor：	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
InChi：	InChI=1S/C80H113ClN18O13/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/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)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+/m1/s1
InChiKey：	InChIKey=GJNXBNATEDXMAK-PFLSVRRQSA-N

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