ILE-GLU-THR-VAL-PRO-VAL-LYS-LEU-LYS-PRO-GLY-MET-ASP-GLY-PRO-LYS-VAL-LYS-GLN-TRP-PRO-LEU-THR-GLU-GLU

CAS号
CCD编号
CCD00118560
分子式
C129 H211 N31 O37 S
分子量
2820.33

基本信息

产品名称: ILE-GLU-THR-VAL-PRO-VAL-LYS-LEU-LYS-PRO-GLY-MET-ASP-GLY-PRO-LYS-VAL-LYS-GLN-TRP-PRO-LEU-THR-GLU-GLU
英文同义词: RT (5-29) ; POL (172-196) ; ILE-GLU-THR-VAL-PRO-VAL-LYS-LEU-LYS-PRO-GLY-MET-ASP-GLY-PRO-LYS-VAL-LYS-GLN-TRP-PRO-LEU-THR-GLU-GLU
MDL号: MFCD00273860
氢键受体数量: 68
氢键供体数量: 34
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
InChi: InChI=1S/C129H211N31O37S/c1-16-71(12)101(135)121(188)142-82(43-47-98(168)169)114(181)155-106(73(14)162)125(192)154-104(70(10)11)128(195)160-57-30-40-93(160)120(187)153-103(69(8)9)123(190)144-78(34-20-24-51-131)109(176)148-86(59-66(2)3)115(182)146-84(36-22-26-53-133)126(193)158-55-28-37-90(158)117(184)137-64-95(164)139-83(49-58-198-15)112(179)149-88(62-100(172)173)107(174)138-65-96(165)157-54-27-38-91(157)118(185)141-79(35-21-25-52-132)113(180)152-102(68(6)7)122(189)143-77(33-19-23-50-130)108(175)140-80(41-45-94(134)163)111(178)151-89(61-74-63-136-76-32-18-17-31-75(74)76)127(194)159-56-29-39-92(159)119(186)150-87(60-67(4)5)116(183)156-105(72(13)161)124(191)145-81(42-46-97(166)167)110(177)147-85(129(196)197)44-48-99(170)171/h17-18,31-32,63,66-73,77-93,101-106,136,161-162H,16,19-30,33-62,64-65,130-133,135H2,1-15H3,(H2,134,163)(H,137,184)(H,138,174)(H,139,164)(H,140,175)(H,141,185)(H,142,188)(H,143,189)(H,144,190)(H,145,191)(H,146,182)(H,147,177)(H,148,176)(H,149,179)(H,150,186)(H,151,178)(H,152,180)(H,153,187)(H,154,192)(H,155,181)(H,156,183)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,196,197)/t71-,72+,73+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-,103-,104-,105-,106-/m0/s1
InChiKey: InChIKey=VMVRWEGNWOUWSI-QYTUOLOFSA-N

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