basic_info |
|
| Product_Name： | SIVMAC239 ENVELOPE-68 |
| EnglishSynonyms： | SIVMAC239 ENVELOPE-68 ; KLNSWDVFGNWFDLASWIKY ; H-LYS-LEU-ASN-SER-TRP-ASP-VAL-PHE-GLY-ASN-TRP-PHE-ASP-LEU-ALA-SER-TRP-ILE-LYS-TYR-OH |
| pro_mdlNumber： | MFCD03790837 |
| pro_acceptors： | 57 |
| pro_donors： | 33 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc8c[nH]c9c8cccc9)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N |
| InChi： | InChI=1S/C122H165N27O30/c1-10-66(8)103(121(177)134-82(38-24-26-44-124)107(163)145-94(122(178)179)49-70-39-41-74(152)42-40-70)149-116(172)89(52-73-59-130-81-37-22-19-33-77(73)81)140-118(174)95(61-150)146-104(160)67(9)132-108(164)83(45-63(2)3)136-115(171)92(55-100(156)157)142-110(166)86(48-69-29-15-12-16-30-69)137-111(167)87(50-71-57-128-79-35-20-17-31-75(71)79)138-113(169)90(53-97(126)153)133-99(155)60-131-106(162)85(47-68-27-13-11-14-28-68)144-120(176)102(65(6)7)148-117(173)93(56-101(158)159)143-112(168)88(51-72-58-129-80-36-21-18-32-76(72)80)139-119(175)96(62-151)147-114(170)91(54-98(127)154)141-109(165)84(46-64(4)5)135-105(161)78(125)34-23-25-43-123/h11-22,27-33,35-37,39-42,57-59,63-67,78,82-96,102-103,128-130,150-152H,10,23-26,34,38,43-56,60-62,123-125H2,1-9H3,(H2,126,153)(H2,127,154)(H,131,162)(H,132,164)(H,133,155)(H,134,177)(H,135,161)(H,136,171)(H,137,167)(H,138,169)(H,139,175)(H,140,174)(H,141,165)(H,142,166)(H,143,168)(H,144,176)(H,145,163)(H,146,160)(H,147,170)(H,148,173)(H,149,172)(H,156,157)(H,158,159)(H,178,179)/t66-,67-,78-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,102-,103-/m0/s1 |
| InChiKey： | InChIKey=KCHTVRVKBNIUET-RPTDCUILSA-N |
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