CYS-SER-CYS-LYS-ASP-MET-THR-ASP-LYS-GLU-CYS-LEU-TYR-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP-OH_Chemical Cloud Database

CYS-SER-CYS-LYS-ASP-MET-THR-ASP-LYS-GLU-CYS-LEU-TYR-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP-OH

CYS-SER-CYS-LYS-ASP-MET-THR-ASP-LYS-GLU-CYS-LEU-TYR-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP-OH

CAS No.
CCD No.: CCD08036231
Formula: C110 H163 N27 O34 S5
MolWeight: 2567.98

Basic Information
Product Name：	CYS-SER-CYS-LYS-ASP-MET-THR-ASP-LYS-GLU-CYS-LEU-TYR-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP-OH
English Synonyms：	CYS-SER-CYS-LYS-ASP-MET-THR-ASP-LYS-GLU-CYS-LEU-TYR-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP-OH ; SARAFOTOXIN 6B
MDL Number.：	MFCD00270710
H bond acceptor：	61
H bond donor：	34
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CS)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N
InChi：	InChI=1S/C110H163N27O34S5/c1-9-55(6)88(108(168)130-77(110(170)171)40-59-45-116-64-22-14-13-21-62(59)64)136-107(167)87(54(4)5)135-102(162)76(44-86(148)149)128-93(153)67(29-31-82(114)141)121-99(159)73(41-60-46-115-52-117-60)126-106(166)81(51-175)133-98(158)71(38-57-19-11-10-12-20-57)125-97(157)72(39-58-25-27-61(140)28-26-58)124-96(156)70(37-53(2)3)123-105(165)80(50-174)132-94(154)68(30-32-83(142)143)120-91(151)65(23-15-17-34-111)118-101(161)75(43-85(146)147)129-109(169)89(56(7)139)137-95(155)69(33-36-176-8)122-100(160)74(42-84(144)145)127-92(152)66(24-16-18-35-112)119-104(164)79(49-173)134-103(163)78(47-138)131-90(150)63(113)48-172/h10-14,19-22,25-28,45-46,52-56,63,65-81,87-89,116,138-140,172-175H,9,15-18,23-24,29-44,47-51,111-113H2,1-8H3,(H2,114,141)(H,115,117)(H,118,161)(H,119,164)(H,120,151)(H,121,159)(H,122,160)(H,123,165)(H,124,156)(H,125,157)(H,126,166)(H,127,152)(H,128,153)(H,129,169)(H,130,168)(H,131,150)(H,132,154)(H,133,158)(H,134,163)(H,135,162)(H,136,167)(H,137,155)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,170,171)/t55-,56+,63-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-,88-,89-/m0/s1
InChiKey：	InChIKey=KLIVEFGEKLQSFP-RAALVGGVSA-N

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