GP120-W61D-88

CAS号
CCD编号
CCD00416194
分子式
C82 H138 N24 O21
分子量
1796.14

基本信息

产品名称: GP120-W61D-88
英文同义词: TLKQIVIKLREHFGN ; GP120-W61D-88 ; H-THR-LEU-LYS-GLN-ILE-VAL-ILE-LYS-LEU-ARG-GLU-HIS-PHE-GLY-ASN-OH
MDL号: MFCD03790125
氢键受体数量: 45
氢键供体数量: 26
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)N
InChi: InChI=1S/C82H138N24O21/c1-12-45(9)66(106-78(123)65(44(7)8)104-80(125)67(46(10)13-2)105-73(118)53(27-29-60(85)108)97-69(114)50(24-17-19-31-83)95-75(120)56(35-43(5)6)103-77(122)64(87)47(11)107)79(124)99-51(25-18-20-32-84)71(116)100-55(34-42(3)4)74(119)96-52(26-21-33-91-82(88)89)70(115)98-54(28-30-63(111)112)72(117)102-58(37-49-39-90-41-93-49)76(121)101-57(36-48-22-15-14-16-23-48)68(113)92-40-62(110)94-59(81(126)127)38-61(86)109/h14-16,22-23,39,41-47,50-59,64-67,107H,12-13,17-21,24-38,40,83-84,87H2,1-11H3,(H2,85,108)(H2,86,109)(H,90,93)(H,92,113)(H,94,110)(H,95,120)(H,96,119)(H,97,114)(H,98,115)(H,99,124)(H,100,116)(H,101,121)(H,102,117)(H,103,122)(H,104,125)(H,105,118)(H,106,123)(H,111,112)(H,126,127)(H4,88,89,91)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-,66-,67-/m0/s1
InChiKey: InChIKey=GUZWXHGSAVUQSG-DAUVHQEPSA-N

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