SIVMAC239 ENVELOPE-73

CAS号
CCD编号
CCD00416908
分子式
C111 H157 N29 O33
分子量
2425.63

基本信息

产品名称: SIVMAC239 ENVELOPE-73
英文同义词: H-TYR-ARG-PRO-VAL-PHE-SER-SER-PRO-PRO-SER-TYR-PHE-GLN-GLN-THR-HIS-ILE-GLN-GLN-ASP-OH ; SIVMAC239 ENVELOPE-73 ; YRPVFSSPPSYFQQTHIQQD
MDL号: MFCD03790842
氢键受体数量: 62
氢键供体数量: 33
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc8ccc(cc8)O)N
InChi: InChI=1S/C111H157N29O33/c1-6-57(4)89(105(167)125-69(35-39-85(115)149)93(155)122-68(34-38-84(114)148)94(156)131-76(110(172)173)50-87(151)152)136-99(161)75(49-63-51-119-55-121-63)130-106(168)90(58(5)144)137-95(157)70(36-40-86(116)150)123-92(154)67(33-37-83(113)147)124-96(158)72(46-59-17-9-7-10-18-59)127-97(159)73(48-62-27-31-65(146)32-28-62)128-100(162)78(53-142)133-102(164)80-22-15-43-139(80)109(171)82-24-16-44-140(82)108(170)79(54-143)134-101(163)77(52-141)132-98(160)74(47-60-19-11-8-12-20-60)129-104(166)88(56(2)3)135-103(165)81-23-14-42-138(81)107(169)71(21-13-41-120-111(117)118)126-91(153)66(112)45-61-25-29-64(145)30-26-61/h7-12,17-20,25-32,51,55-58,66-82,88-90,141-146H,6,13-16,21-24,33-50,52-54,112H2,1-5H3,(H2,113,147)(H2,114,148)(H2,115,149)(H2,116,150)(H,119,121)(H,122,155)(H,123,154)(H,124,158)(H,125,167)(H,126,153)(H,127,159)(H,128,162)(H,129,166)(H,130,168)(H,131,156)(H,132,160)(H,133,164)(H,134,163)(H,135,165)(H,136,161)(H,137,157)(H,151,152)(H,172,173)(H4,117,118,120)/t57-,58+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,88-,89-,90-/m0/s1
InChiKey: InChIKey=KVPXSRFQGOXAHS-UEWRLMBLSA-N

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