GP120-W61D-18

CAS号
CCD编号
CCD00416125
分子式
C66 H103 N19 O24 S
分子量
1578.71

基本信息

产品名称: GP120-W61D-18
英文同义词: H-ALA-THR-HIS-ALA-CYS-VAL-PRO-THR-ASP-PRO-ASN-PRO-GLN-GLU-VAL-OH ; GP120-W61D-18 ; ATHAC-VPTDPNPQEV
MDL号: MFCD03790055
氢键受体数量: 43
氢键供体数量: 20
Smile: CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N
InChi: InChI=1S/C66H103N19O24S/c1-28(2)48(79-57(99)40(26-110)78-53(95)31(6)72-56(98)37(22-34-25-70-27-71-34)75-61(103)50(32(7)86)81-52(94)30(5)67)65(107)85-21-11-14-43(85)60(102)82-51(33(8)87)62(104)77-39(24-47(92)93)64(106)84-20-10-13-42(84)59(101)76-38(23-45(69)89)63(105)83-19-9-12-41(83)58(100)74-35(15-17-44(68)88)54(96)73-36(16-18-46(90)91)55(97)80-49(29(3)4)66(108)109/h25,27-33,35-43,48-51,86-87,110H,9-24,26,67H2,1-8H3,(H2,68,88)(H2,69,89)(H,70,71)(H,72,98)(H,73,96)(H,74,100)(H,75,103)(H,76,101)(H,77,104)(H,78,95)(H,79,99)(H,80,97)(H,81,94)(H,82,102)(H,90,91)(H,92,93)(H,108,109)/t30-,31-,32+,33+,35-,36-,37-,38-,39-,40-,41-,42-,43-,48-,49-,50-,51-/m0/s1
InChiKey: InChIKey=YDTUACWUCSORHU-DSHYUNLISA-N

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