ALLATOSTATIN I ,123209-95-0 _Chemical Cloud Database

ALLATOSTATIN I

Basic Information
Product Name：	ALLATOSTATIN I
CAS：	123209-95-0 ;123338-10-3
English Synonyms：	ALLATOSTATIN I ; DIP-AST7 ; H-ALA-PRO-SER-GLY-ALA-GLN-ARG-LEU-TYR-GLY-PHE-GLY-LEU-NH2 ; ALLATOSTATIN 1 ; ALLATOSTATIN ; MAS AT ; COCKROACH ; TYPE A ALLATOSTATIN I ; APSGAQRLYGFGL-NH2 ; ALLATOSTATIN I, COCKROACH ; ALA-PRO-SER-GLY-ALA-GLN-ARG-LEU-TYR-GLY-PHE-GLY-LEU-NH2 ; DIP-AST7, COCKROACH
MDL Number.：	MFCD00080031
H bond acceptor：	34
H bond donor：	19
Smile：	CC(C)C[C@@H](C(=O)N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)N
InChi：	InChI=1S/C61H94N18O16/c1-32(2)24-41(51(64)86)72-49(84)29-68-53(88)43(26-36-12-8-7-9-13-36)73-50(85)30-69-54(89)44(27-37-16-18-38(81)19-17-37)77-58(93)42(25-33(3)4)76-56(91)39(14-10-22-67-61(65)66)75-57(92)40(20-21-47(63)82)74-52(87)35(6)71-48(83)28-70-55(90)45(31-80)78-59(94)46-15-11-23-79(46)60(95)34(5)62/h7-9,12-13,16-19,32-35,39-46,80-81H,10-11,14-15,20-31,62H2,1-6H3,(H2,63,82)(H2,64,86)(H,68,88)(H,69,89)(H,70,90)(H,71,83)(H,72,84)(H,73,85)(H,74,87)(H,75,92)(H,76,91)(H,77,93)(H,78,94)(H4,65,66,67)/t34-,35-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
InChiKey：	InChIKey=SDAFHXYVWUEZIJ-LRHNFOCQSA-N

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