Basic Information |
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| Product Name： | SIVMAC239 GAG-33 |
| English Synonyms： | TLLIQNANPDCKLVLKGLGV ; SIVMAC239 GAG-33 ; H-THR-LEU-LEU-ILE-GLN-ASN-ALA-ASN-PRO-ASP-CYS-LYS-LEU-VAL-LEU-LYS-GLY-LEU-GLY-VAL-OH |
| MDL Number.： | MFCD03790630 |
| H bond acceptor： | 52 |
| H bond donor： | 27 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)N |
| InChi： | InChI=1S/C94H165N25O27S/c1-19-51(16)76(118-87(138)61(37-48(10)11)109-84(135)58(34-45(4)5)112-90(141)73(100)53(18)120)92(143)107-56(28-29-67(97)121)81(132)110-62(38-68(98)122)82(133)103-52(17)77(128)114-64(39-69(99)123)93(144)119-32-24-27-66(119)89(140)111-63(40-72(126)127)85(136)115-65(43-147)88(139)106-55(26-21-23-31-96)80(131)108-60(36-47(8)9)86(137)117-74(49(12)13)91(142)113-59(35-46(6)7)83(134)105-54(25-20-22-30-95)78(129)101-41-70(124)104-57(33-44(2)3)79(130)102-42-71(125)116-75(50(14)15)94(145)146/h44-66,73-76,120,147H,19-43,95-96,100H2,1-18H3,(H2,97,121)(H2,98,122)(H2,99,123)(H,101,129)(H,102,130)(H,103,133)(H,104,124)(H,105,134)(H,106,139)(H,107,143)(H,108,131)(H,109,135)(H,110,132)(H,111,140)(H,112,141)(H,113,142)(H,114,128)(H,115,136)(H,116,125)(H,117,137)(H,118,138)(H,126,127)(H,145,146)/t51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-,74-,75-,76-/m0/s1 |
| InChiKey： | InChIKey=PPKISZJNAJRUAK-HNFHUHHASA-N |
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