AVKQALREAGDEFE_ChemCD

AVKQALREAGDEFE

basic_info
Product_Name：	AVKQALREAGDEFE
EnglishSynonyms：	BCL-XL BH3 (85-98) ; H-ALA-VAL-LYS-GLN-ALA-LEU-ARG-GLU-ALA-GLY-ASP-GLU-PHE-GLU-OH ; AVKQALREAGDEFE
pro_mdlNumber：	MFCD10567305
pro_acceptors：	43
pro_donors：	24
pro_smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N
InChi：	InChI=1S/C67H107N19O24/c1-32(2)28-44(84-56(99)36(7)76-57(100)40(18-22-47(70)87)79-59(102)38(16-11-12-26-68)82-65(108)53(33(3)4)86-54(97)34(5)69)62(105)78-39(17-13-27-73-67(71)72)60(103)80-41(19-23-49(89)90)58(101)75-35(6)55(98)74-31-48(88)77-46(30-52(95)96)64(107)81-42(20-24-50(91)92)61(104)85-45(29-37-14-9-8-10-15-37)63(106)83-43(66(109)110)21-25-51(93)94/h8-10,14-15,32-36,38-46,53H,11-13,16-31,68-69H2,1-7H3,(H2,70,87)(H,74,98)(H,75,101)(H,76,100)(H,77,88)(H,78,105)(H,79,102)(H,80,103)(H,81,107)(H,82,108)(H,83,106)(H,84,99)(H,85,104)(H,86,97)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,109,110)(H4,71,72,73)/t34-,35-,36-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-/m0/s1
InChiKey：	InChIKey=ICKGOWQTVCZAKP-OEDQAARYSA-N

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