Pro_Molecular_Structure:
pro_cdbregno:CCD00416149
GP120-W61D-42
pro_formula:C86 H132 N22 O25
pro_molWeight:1874.12
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| Product_Name： | GP120-W61D-42 |
| EnglishSynonyms： | H-SER-ILE-ARG-ASP-LYS-VAL-GLN-LYS-GLU-TYR-ALA-LEU-PHE-TYR-ASN-OH ; GP120-W61D-42 ; SIRDKVQKEYALFYN |
| pro_mdlNumber： | MFCD03790079 |
| pro_acceptors： | 47 |
| pro_donors： | 28 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CO)N |
| InChi： | InChI=1S/C86H132N22O25/c1-8-46(6)70(108-72(119)53(89)43-109)84(131)99-56(21-16-36-94-86(92)93)74(121)105-63(42-68(116)117)82(129)97-55(20-13-15-35-88)77(124)107-69(45(4)5)83(130)100-57(30-32-65(90)112)75(122)96-54(19-12-14-34-87)73(120)98-58(31-33-67(114)115)76(123)102-60(39-49-22-26-51(110)27-23-49)78(125)95-47(7)71(118)101-59(37-44(2)3)79(126)103-61(38-48-17-10-9-11-18-48)80(127)104-62(40-50-24-28-52(111)29-25-50)81(128)106-64(85(132)133)41-66(91)113/h9-11,17-18,22-29,44-47,53-64,69-70,109-111H,8,12-16,19-21,30-43,87-89H2,1-7H3,(H2,90,112)(H2,91,113)(H,95,125)(H,96,122)(H,97,129)(H,98,120)(H,99,131)(H,100,130)(H,101,118)(H,102,123)(H,103,126)(H,104,127)(H,105,121)(H,106,128)(H,107,124)(H,108,119)(H,114,115)(H,116,117)(H,132,133)(H4,92,93,94)/t46-,47-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-/m0/s1 |
| InChiKey： | InChIKey=HTRKKELXHYQFLB-QFQLHDGVSA-N |
basic_info
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