Basic Information |
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| Product Name： | SIVMAC239 ENVELOPE-79 |
| English Synonyms： | H-THR-TRP-LEU-PHE-SER-ASN-CYS-ARG-THR-LEU-LEU-SER-ARG-VAL-TYR-GLN-ILE-LEU-GLN-PRO-OH ; SIVMAC239 ENVELOPE-79 ; TWLFSNCRTLLSRVYQILQP |
| MDL Number.： | MFCD03790848 |
| H bond acceptor： | 59 |
| H bond donor： | 35 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H]([C@@H](C)O)N |
| InChi： | InChI=1S/C112H176N30O29S/c1-15-59(12)89(107(167)133-74(44-56(6)7)94(154)127-71(36-38-85(114)149)109(169)142-41-23-30-83(142)110(170)171)140-93(153)70(35-37-84(113)148)126-98(158)77(47-63-31-33-65(147)34-32-63)135-106(166)88(58(10)11)139-91(151)68(28-21-39-121-111(117)118)124-102(162)80(51-143)136-97(157)73(43-55(4)5)128-96(156)75(45-57(8)9)134-108(168)90(61(14)146)141-92(152)69(29-22-40-122-112(119)120)125-104(164)82(53-172)138-101(161)79(49-86(115)150)131-103(163)81(52-144)137-99(159)76(46-62-24-17-16-18-25-62)130-95(155)72(42-54(2)3)129-100(160)78(132-105(165)87(116)60(13)145)48-64-50-123-67-27-20-19-26-66(64)67/h16-20,24-27,31-34,50,54-61,68-83,87-90,123,143-147,172H,15,21-23,28-30,35-49,51-53,116H2,1-14H3,(H2,113,148)(H2,114,149)(H2,115,150)(H,124,162)(H,125,164)(H,126,158)(H,127,154)(H,128,156)(H,129,160)(H,130,155)(H,131,163)(H,132,165)(H,133,167)(H,134,168)(H,135,166)(H,136,157)(H,137,159)(H,138,161)(H,139,151)(H,140,153)(H,141,152)(H,170,171)(H4,117,118,121)(H4,119,120,122)/t59-,60+,61+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,87-,88-,89-,90-/m0/s1 |
| InChiKey： | InChIKey=CPXTWEINBZMUTQ-VWIQDHEXSA-N |
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