Basic Information |
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| Product Name： | BAK BH3 (67-87) |
| English Synonyms： | PSSTMGQVGRQLAIIGDDINR ; BAK BH3 (67-87) ; H-PRO-SER-SER-THR-MET-GLY-GLN-VAL-GLY-ARG-GLN-LEU-ALA-ILE-ILE-GLY-ASP-ASP-ILE-ASN-ARG-OH |
| MDL Number.： | MFCD11113642 |
| H bond acceptor： | 62 |
| H bond donor： | 36 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1 |
| InChi： | InChI=1S/C92H158N30O32S/c1-14-43(8)69(86(149)105-38-65(131)109-56(34-66(132)133)81(144)114-57(35-67(134)135)82(145)120-70(44(9)15-2)87(150)115-55(33-62(95)128)80(143)112-53(90(153)154)22-19-30-102-92(98)99)121-88(151)71(45(10)16-3)119-73(136)46(11)106-79(142)54(32-41(4)5)113-77(140)51(24-26-61(94)127)110-76(139)49(21-18-29-101-91(96)97)107-64(130)37-104-85(148)68(42(6)7)118-78(141)50(23-25-60(93)126)108-63(129)36-103-74(137)52(27-31-155-13)111-89(152)72(47(12)125)122-84(147)59(40-124)117-83(146)58(39-123)116-75(138)48-20-17-28-100-48/h41-59,68-72,100,123-125H,14-40H2,1-13H3,(H2,93,126)(H2,94,127)(H2,95,128)(H,103,137)(H,104,148)(H,105,149)(H,106,142)(H,107,130)(H,108,129)(H,109,131)(H,110,139)(H,111,152)(H,112,143)(H,113,140)(H,114,144)(H,115,150)(H,116,138)(H,117,146)(H,118,141)(H,119,136)(H,120,145)(H,121,151)(H,122,147)(H,132,133)(H,134,135)(H,153,154)(H4,96,97,101)(H4,98,99,102)/t43-,44-,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,68-,69-,70-,71-,72-/m0/s1 |
| InChiKey： | InChIKey=QLGAKLWWXXKXGU-SQAMTKTLSA-N |
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