SIVMAC239 ENVELOPE-87

CAS号
CCD编号
CCD00416922
分子式
C107 H185 N33 O24
分子量
2317.85

基本信息

产品名称: SIVMAC239 ENVELOPE-87
英文同义词: H-ARG-TRP-ILE-LEU-ALA-ILE-PRO-ARG-ARG-ILE-ARG-GLN-GLY-LEU-GLU-LEU-THR-LEU-LEU-OH ; SIVMAC239 ENVELOPE-87 ; RWILAIPRRIRQGLELTLL
MDL号: MFCD03790856
氢键受体数量: 57
氢键供体数量: 35
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCCNC(=N)N)N
InChi: InChI=1S/C107H185N33O24/c1-19-58(14)82(99(159)130-68(33-26-42-120-106(114)115)90(150)127-70(36-38-79(109)142)88(148)123-52-80(143)125-72(45-53(4)5)94(154)128-71(37-39-81(144)145)91(151)132-75(48-56(10)11)96(156)139-85(62(18)141)101(161)134-74(47-55(8)9)95(155)135-77(103(163)164)49-57(12)13)136-92(152)69(34-27-43-121-107(116)117)126-89(149)67(32-25-41-119-105(112)113)129-98(158)78-35-28-44-140(78)102(162)84(60(16)21-3)138-86(146)61(17)124-93(153)73(46-54(6)7)133-100(160)83(59(15)20-2)137-97(157)76(50-63-51-122-66-31-23-22-29-64(63)66)131-87(147)65(108)30-24-40-118-104(110)111/h22-23,29,31,51,53-62,65,67-78,82-85,122,141H,19-21,24-28,30,32-50,52,108H2,1-18H3,(H2,109,142)(H,123,148)(H,124,153)(H,125,143)(H,126,149)(H,127,150)(H,128,154)(H,129,158)(H,130,159)(H,131,147)(H,132,151)(H,133,160)(H,134,161)(H,135,155)(H,136,152)(H,137,157)(H,138,146)(H,139,156)(H,144,145)(H,163,164)(H4,110,111,118)(H4,112,113,119)(H4,114,115,120)(H4,116,117,121)/t58-,59-,60-,61-,62+,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,82-,83-,84-,85-/m0/s1
InChiKey: InChIKey=VERABWISCUFOGF-COZLMNCISA-N

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