basic_info |
|
| Product_Name： | H-CYS-PRO-ASP-PHE-GLY-HIS-ILE-ALA-MET-GLU-LEU-SER-VAL-ARG-THR-LYS-TYR-OH |
| EnglishSynonyms： | H-CYS-PRO-ASP-PHE-GLY-HIS-ILE-ALA-MET-GLU-LEU-SER-VAL-ARG-THR-LYS-TYR-OH |
| pro_mdlNumber： | MFCD10566487 |
| pro_acceptors： | 48 |
| pro_donors： | 27 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CS)N |
| InChi： | InChI=1S/C87H135N23O25S2/c1-10-46(6)69(108-79(127)60(37-51-39-92-43-95-51)97-65(114)40-94-72(120)59(35-49-18-12-11-13-19-49)103-78(126)61(38-67(117)118)104-81(129)64-22-17-32-110(64)85(133)53(89)42-136)83(131)96-47(7)71(119)98-57(29-33-137-9)75(123)99-56(27-28-66(115)116)74(122)102-58(34-44(2)3)77(125)106-63(41-111)80(128)107-68(45(4)5)82(130)100-55(21-16-31-93-87(90)91)76(124)109-70(48(8)112)84(132)101-54(20-14-15-30-88)73(121)105-62(86(134)135)36-50-23-25-52(113)26-24-50/h11-13,18-19,23-26,39,43-48,53-64,68-70,111-113,136H,10,14-17,20-22,27-38,40-42,88-89H2,1-9H3,(H,92,95)(H,94,120)(H,96,131)(H,97,114)(H,98,119)(H,99,123)(H,100,130)(H,101,132)(H,102,122)(H,103,126)(H,104,129)(H,105,121)(H,106,125)(H,107,128)(H,108,127)(H,109,124)(H,115,116)(H,117,118)(H,134,135)(H4,90,91,93)/t46-,47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,68-,69-,70-/m0/s1 |
| InChiKey： | InChIKey=FUBQOICEBWJADX-KULRNIJXSA-N |
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