Basic Information |
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| Product Name： | BAD BH3 (103-123) |
| English Synonyms： | NLWAAQRYGRELRRMSDEFVD ; H-ASN-LEU-TRP-ALA-ALA-GLN-ARG-TYR-GLY-ARG-GLU-LEU-ARG-ARG-MET-SER-ASP-GLU-PHE-VAL-ASP-OH ; BAD BH3 (103-123) |
| MDL Number.： | MFCD11113641 |
| H bond acceptor： | 70 |
| H bond donor： | 43 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)N |
| InChi： | InChI=1S/C117H182N36O34S/c1-56(2)45-77(144-95(168)67(118)51-87(120)157)106(179)149-82(50-64-54-133-68-24-16-15-23-66(64)68)104(177)135-60(9)93(166)134-61(10)94(167)136-73(33-36-86(119)156)100(173)138-72(28-20-43-132-117(127)128)99(172)147-80(49-63-29-31-65(155)32-30-63)108(181)140-71(27-19-42-131-116(125)126)97(170)141-74(34-37-88(158)159)101(174)145-79(47-58(5)6)107(180)146-78(46-57(3)4)105(178)139-70(26-18-41-130-115(123)124)96(169)137-69(25-17-40-129-114(121)122)98(171)143-76(39-44-188-11)103(176)152-85(55-154)111(184)150-83(52-90(162)163)109(182)142-75(35-38-89(160)161)102(175)148-81(48-62-21-13-12-14-22-62)110(183)153-92(59(7)8)112(185)151-84(113(186)187)53-91(164)165/h12-16,21-24,29-32,54,56-61,67,69-85,92,133,154-155H,17-20,25-28,33-53,55,118H2,1-11H3,(H2,119,156)(H2,120,157)(H,134,166)(H,135,177)(H,136,167)(H,137,169)(H,138,173)(H,139,178)(H,140,181)(H,141,170)(H,142,182)(H,143,171)(H,144,168)(H,145,174)(H,146,180)(H,147,172)(H,148,175)(H,149,179)(H,150,184)(H,151,185)(H,152,176)(H,153,183)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,186,187)(H4,121,122,129)(H4,123,124,130)(H4,125,126,131)(H4,127,128,132)/t60-,61-,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,92-/m0/s1 |
| InChiKey： | InChIKey=FNPOAUZPQXRDOS-OWXMLLCJSA-N |
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