GP120-W61D-61

CAS号
CCD编号
CCD00416167
分子式
C66 H108 N18 O24 S
分子量
1569.75

基本信息

产品名称: GP120-W61D-61
英文同义词: H-THR-PHE-ASP-GLY-LYS-GLY-LEU-CYS-THR-ASN-VAL-SER-THR-VAL-GLN-OH ; TFDGKGLCTNVSTVQ ; GP120-W61D-61
MDL号: MFCD03790098
氢键受体数量: 42
氢键供体数量: 24
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)N
InChi: InChI=1S/C66H108N18O24S/c1-29(2)21-38(74-47(92)26-71-54(95)36(17-13-14-20-67)73-46(91)25-72-55(96)41(24-48(93)94)76-57(98)39(22-35-15-11-10-12-16-35)77-61(102)49(70)32(7)86)56(97)80-43(28-109)60(101)84-52(33(8)87)64(105)78-40(23-45(69)90)58(99)81-50(30(3)4)63(104)79-42(27-85)59(100)83-53(34(9)88)65(106)82-51(31(5)6)62(103)75-37(66(107)108)18-19-44(68)89/h10-12,15-16,29-34,36-43,49-53,85-88,109H,13-14,17-28,67,70H2,1-9H3,(H2,68,89)(H2,69,90)(H,71,95)(H,72,96)(H,73,91)(H,74,92)(H,75,103)(H,76,98)(H,77,102)(H,78,105)(H,79,104)(H,80,97)(H,81,99)(H,82,106)(H,83,100)(H,84,101)(H,93,94)(H,107,108)/t32-,33-,34-,36+,37+,38+,39+,40+,41+,42+,43+,49+,50+,51+,52+,53+/m1/s1
InChiKey: InChIKey=HNYPSZLGRVMFSB-PNGNESNXSA-N