GP120-W61D-16

CAS号
CCD编号
CCD00416123
分子式
C73 H107 N21 O23 S
分子量
1678.84

基本信息

产品名称: GP120-W61D-16
英文同义词: H-ASP-THR-GLU-VAL-HIS-ASN-VAL-TRP-ALA-THR-HIS-ALA-CYS-VAL-PRO-OH ; DTEVHNVWATHAC-VP ; GP120-W61D-16
MDL号: MFCD03790053
氢键受体数量: 44
氢键供体数量: 23
Smile: CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)N
InChi: InChI=1S/C73H107N21O23S/c1-31(2)54(89-62(105)44(17-18-52(98)99)83-70(113)58(37(10)96)93-61(104)42(74)23-53(100)101)69(112)86-47(22-40-27-77-30-80-40)65(108)84-48(24-51(75)97)66(109)90-55(32(3)4)68(111)85-45(20-38-25-78-43-15-12-11-14-41(38)43)63(106)82-35(8)60(103)92-57(36(9)95)71(114)87-46(21-39-26-76-29-79-39)64(107)81-34(7)59(102)88-49(28-118)67(110)91-56(33(5)6)72(115)94-19-13-16-50(94)73(116)117/h11-12,14-15,25-27,29-37,42,44-50,54-58,78,95-96,118H,13,16-24,28,74H2,1-10H3,(H2,75,97)(H,76,79)(H,77,80)(H,81,107)(H,82,106)(H,83,113)(H,84,108)(H,85,111)(H,86,112)(H,87,114)(H,88,102)(H,89,105)(H,90,109)(H,91,110)(H,92,103)(H,93,104)(H,98,99)(H,100,101)(H,116,117)/t34-,35-,36+,37+,42-,44-,45-,46-,47-,48-,49-,50-,54-,55-,56-,57-,58-/m0/s1
InChiKey: InChIKey=MCUDQBGRJQDLOX-SJCRFNDOSA-N

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