Basic Information |
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| Product Name： | ALSPVPVVHLTLRQAGDFSRR |
| English Synonyms： | H-ALA-LEU-SER-PRO-VAL-PRO-VAL-VAL-HIS-LEU-THR-LEU-ARG-GLN-ALA-GLY-ASP-PHE-SER-ARG-ARG-OH ; BCL-2 BH3 (85-105) ; ALSPVPVVHLTLRQAGDFSRR |
| MDL Number.： | MFCD11113643 |
| H bond acceptor： | 61 |
| H bond donor： | 35 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCNC(=N)N)C(=O)O)NC(=O)[C@H](C)N |
| InChi： | InChI=1S/C102H169N33O28/c1-48(2)37-63(123-80(143)54(13)103)86(149)129-70(46-137)97(160)134-35-21-27-71(134)93(156)132-78(53(11)12)98(161)135-36-22-28-72(135)92(155)130-77(52(9)10)95(158)131-76(51(7)8)94(157)127-67(41-58-43-111-47-116-58)88(151)124-65(39-50(5)6)90(153)133-79(56(15)138)96(159)126-64(38-49(3)4)85(148)119-59(25-19-32-112-100(105)106)83(146)121-61(29-30-73(104)139)82(145)117-55(14)81(144)115-44-74(140)118-68(42-75(141)142)89(152)125-66(40-57-23-17-16-18-24-57)87(150)128-69(45-136)91(154)120-60(26-20-33-113-101(107)108)84(147)122-62(99(162)163)31-34-114-102(109)110/h16-18,23-24,43,47-56,59-72,76-79,136-138H,19-22,25-42,44-46,103H2,1-15H3,(H2,104,139)(H,111,116)(H,115,144)(H,117,145)(H,118,140)(H,119,148)(H,120,154)(H,121,146)(H,122,147)(H,123,143)(H,124,151)(H,125,152)(H,126,159)(H,127,157)(H,128,150)(H,129,149)(H,130,155)(H,131,158)(H,132,156)(H,133,153)(H,141,142)(H,162,163)(H4,105,106,112)(H4,107,108,113)(H4,109,110,114)/t54-,55-,56+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,76-,77-,78-,79-/m0/s1 |
| InChiKey： | InChIKey=PIBBEXUKIOYRAN-DQBCEHAFSA-N |
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