basic_info |
|
| Product_Name： | SIVMAC239 ENVELOPE-4 |
| EnglishSynonyms： | GP140 (31-50) ; SIVMAC239 ENVELOPE-4 ; GLY-VAL-PRO-ALA-TRP-ARG-ASN-ALA-THR-ILE-PRO-LEU-PHE-CYS-ALA-THR-LYS-ASN-ARG-ASP ; H-GLY-VAL-PRO-ALA-TRP-ARG-ASN-ALA-THR-ILE-PRO-LEU-PHE-CYS-ALA-THR-LYS-ASN-ARG-ASP-OH ; GVPAWRNATIPLFCATKNRD |
| pro_mdlNumber： | MFCD00273879 |
| pro_acceptors： | 57 |
| pro_donors： | 32 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)CN |
| InChi： | InChI=1S/C99H156N30O27S/c1-12-49(6)76(125-94(152)78(54(11)131)127-80(138)51(8)111-85(143)65(41-71(102)132)119-83(141)60(29-20-34-108-98(104)105)114-88(146)64(40-56-45-110-58-27-17-16-26-57(56)58)117-79(137)50(7)113-91(149)69-31-22-36-128(69)95(153)75(48(4)5)124-73(134)44-101)96(154)129-37-23-32-70(129)92(150)121-62(38-47(2)3)86(144)118-63(39-55-24-14-13-15-25-55)87(145)123-68(46-157)90(148)112-52(9)81(139)126-77(53(10)130)93(151)116-59(28-18-19-33-100)82(140)120-66(42-72(103)133)89(147)115-61(30-21-35-109-99(106)107)84(142)122-67(97(155)156)43-74(135)136/h13-17,24-27,45,47-54,59-70,75-78,110,130-131,157H,12,18-23,28-44,46,100-101H2,1-11H3,(H2,102,132)(H2,103,133)(H,111,143)(H,112,148)(H,113,149)(H,114,146)(H,115,147)(H,116,151)(H,117,137)(H,118,144)(H,119,141)(H,120,140)(H,121,150)(H,122,142)(H,123,145)(H,124,134)(H,125,152)(H,126,139)(H,127,138)(H,135,136)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t49-,50-,51-,52-,53+,54+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-,76-,77-,78-/m0/s1 |
| InChiKey： | InChIKey=QHGNKUWBQOQJHZ-CYPYKRQKSA-N |
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