GP120-W61D-97

CAS号
CCD编号
CCD00416203
分子式
C78 H105 N17 O25 S2
分子量
1744.91

基本信息

产品名称: GP120-W61D-97
英文同义词: H-CYS-GLY-GLY-GLU-PHE-PHE-TYR-CYS-ASP-THR-THR-GLN-LEU-PHE-ASN-OH ; CGGEFFYCDTTQLFN ; GP120-W61D-97
MDL号: MFCD03790134
氢键受体数量: 42
氢键供体数量: 23
Smile: CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CS)N
InChi: InChI=1S/C78H105N17O25S2/c1-39(2)28-50(69(110)88-53(31-44-18-12-7-13-19-44)72(113)92-56(78(119)120)33-59(81)100)86-68(109)49(24-26-58(80)99)85-76(117)64(40(3)96)95-77(118)65(41(4)97)94-74(115)55(34-63(105)106)91-75(116)57(38-122)93-73(114)54(32-45-20-22-46(98)23-21-45)90-71(112)52(30-43-16-10-6-11-17-43)89-70(111)51(29-42-14-8-5-9-15-42)87-67(108)48(25-27-62(103)104)84-61(102)36-82-60(101)35-83-66(107)47(79)37-121/h5-23,39-41,47-57,64-65,96-98,121-122H,24-38,79H2,1-4H3,(H2,80,99)(H2,81,100)(H,82,101)(H,83,107)(H,84,102)(H,85,117)(H,86,109)(H,87,108)(H,88,110)(H,89,111)(H,90,112)(H,91,116)(H,92,113)(H,93,114)(H,94,115)(H,95,118)(H,103,104)(H,105,106)(H,119,120)/t40-,41-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,64+,65+/m1/s1
InChiKey: InChIKey=RMLGAEVRNBFTPN-ZIJONBBVSA-N

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