(D-SER4)-BUSERELIN ACETATE SALT

CAS号
CCD编号
CCD04458613
分子式
C60 H86 N16 O13 . C2 H4 O2
分子量
1299.49

基本信息

产品名称: (D-SER4)-BUSERELIN ACETATE SALT
英文同义词: (D-SER4)-BUSERELIN ACETATE SALT ; (DES-GLY10,D-SER4,D-SER(TBU)6,PRO-NHET9)-LHRH ACETATE SALT ; PYR-HIS-TRP-D-SER-TYR-D-SER(TBU)-LEU-ARG-PRO-NHET ACETATE SALT
MDL号: MFCD18782495
氢键受体数量: 29
氢键供体数量: 16
Smile: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O
InChi: InChI=1S/C60H86N16O13.C2H4O2/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40;1-2(3)4/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65);1H3,(H,3,4)/t40-,41-,42-,43-,44-,45-,46+,47+,48-;/m0./s1
InChiKey: InChIKey=PYMDEDHDQYLBRT-RHAXIAOTSA-N

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