basic_info |
|
Product_Name: | H-SER-TYR-SER-MET-GLU-HIS-PHE-ARG-TRP-GLY-LYS-PRO-VAL-LYS-LYS-ARG-OH |
EnglishSynonyms: | H-SER-TYR-SER-MET-GLU-HIS-PHE-ARG-TRP-GLY-LYS-PRO-VAL-LYS-LYS-ARG-OH |
pro_mdlNumber: | MFCD10566496 |
pro_acceptors: | 50 |
pro_donors: | 31 |
pro_smile: | CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc6ccc(cc6)O)NC(=O)[C@H](CO)N |
InChi: | InChI=1S/C93H142N28O22S/c1-52(2)76(89(140)113-62(23-10-13-36-95)79(130)109-61(22-9-12-35-94)80(131)114-67(91(142)143)26-16-39-104-93(100)101)120-88(139)73-27-17-40-121(73)90(141)66(24-11-14-37-96)108-74(125)48-106-78(129)70(44-55-46-105-60-21-8-7-20-58(55)60)117-81(132)63(25-15-38-103-92(98)99)110-84(135)69(42-53-18-5-4-6-19-53)116-86(137)71(45-56-47-102-51-107-56)118-82(133)64(32-33-75(126)127)111-83(134)65(34-41-144-3)112-87(138)72(50-123)119-85(136)68(115-77(128)59(97)49-122)43-54-28-30-57(124)31-29-54/h4-8,18-21,28-31,46-47,51-52,59,61-73,76,105,122-124H,9-17,22-27,32-45,48-50,94-97H2,1-3H3,(H,102,107)(H,106,129)(H,108,125)(H,109,130)(H,110,135)(H,111,134)(H,112,138)(H,113,140)(H,114,131)(H,115,128)(H,116,137)(H,117,132)(H,118,133)(H,119,136)(H,120,139)(H,126,127)(H,142,143)(H4,98,99,103)(H4,100,101,104)/t59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,76-/m0/s1 |
InChiKey: | InChIKey=NZFYXZBOFGXHTO-IVRWIZNXSA-N |
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