GP140 (91-110)

CAS号
CCD编号
CCD00118585
分子式
C113 H182 N26 O30 S2
分子量
2448.96

基本信息

产品名称: GP140 (91-110)
英文同义词: GP140 (91-110) ; TRP-GLN-LEU-PHE-GLU-THR-SER-ILE-LYS-PRO-CYS(ACM)-VAL-LYS-LEU-SER-PRO-LEU-CYS(ACM)-ILE-THR
MDL号: MFCD00273885
氢键受体数量: 56
氢键供体数量: 30
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSCNC(=O)C)C(=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](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N
InChi: InChI=1S/C113H182N26O30S2/c1-17-62(11)90(134-102(157)81(52-140)129-110(165)92(64(13)142)136-97(152)75(39-41-88(147)148)122-101(156)80(49-68-30-20-19-21-31-68)127-98(153)77(46-58(3)4)126-96(151)74(38-40-87(117)146)121-94(149)71(116)50-69-51-118-72-33-23-22-32-70(69)72)108(163)124-76(35-25-27-43-115)111(166)138-44-28-37-86(138)106(161)132-84(55-171-57-120-67(16)145)103(158)133-89(61(9)10)107(162)123-73(34-24-26-42-114)95(150)125-78(47-59(5)6)99(154)130-82(53-141)112(167)139-45-29-36-85(139)105(160)128-79(48-60(7)8)100(155)131-83(54-170-56-119-66(15)144)104(159)135-91(63(12)18-2)109(164)137-93(65(14)143)113(168)169/h19-23,30-33,51,58-65,71,73-86,89-93,118,140-143H,17-18,24-29,34-50,52-57,114-116H2,1-16H3,(H2,117,146)(H,119,144)(H,120,145)(H,121,149)(H,122,156)(H,123,162)(H,124,163)(H,125,150)(H,126,151)(H,127,153)(H,128,160)(H,129,165)(H,130,154)(H,131,155)(H,132,161)(H,133,158)(H,134,157)(H,135,159)(H,136,152)(H,137,164)(H,147,148)(H,168,169)/t62-,63-,64+,65+,71-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,89-,90-,91-,92-,93-/m0/s1
InChiKey: InChIKey=FPPAKPCEPFUTCD-JNWPIBMLSA-N

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