角蝰毒素S6c

CAS号
121695-87-2
CCD编号
CCD00079018
分子式
C103 H147 N27 O37 S5
分子量
2515.78

基本信息

产品名称: 角蝰毒素S6c
CAS: 121695-87-2
中文同义词: 角蝰毒素S6c
英文同义词: SARAFOTOXIN S6C ; SARAFOTOXIN S6C, ATRACTASPSIS ENGADDENSIS ; H-CYS-THR-CYS-ASN-ASP-MET-THR-ASP-GLU-GLU-CYS-LEU-ASN-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP-OH (DISULFIDE BRIDGE: 1-15 AND 3-11) ; SARAFOTOXIN C ; CYS-THR-CYS-ASN-ASP-MET-THR-ASP-GLU-GLU-CYS-LEU-ASN-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP [DISULFIDE BRIDGES: 1-15, 3-11] ; [CYS1-CYS15, CYS3-CYS11] H-CYS-THR-CYS-ASN-ASP-MET-THR-ASP-GLU-GLU-CYS-LEU-ASN-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP-OH ; H-CYS-THR-CYS-ASN-ASP-MET-THR-ASP-GLU-GLU-CYS-LEU-ASN-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP-OH-OH ; SRTX-C ; CTCNDMTDEECLNFCHQDVIW (DISULFIDE BRIDGE: 1-15 AND 3-11) ; H-CYS-THR-CYS-ASN-ASP-MET-THR-ASP-GLU-GLU-CYS-LEU-ASN-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP-OH(CYS1-CYS15, CYS3-CYS11) ; CTCNDMTDEECLNFCHQDVIW ; SARAFOTOXIN 6C ; CYS-THR-CYS-ASN-ASP-MET-THR-ASP-GLU-GLU-CYS-LEU-ASN-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP
MDL号: MFCD00161501
氢键受体数量: 64
氢键供体数量: 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]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)Cc6ccccc6)CC(=O)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC5=O)CC(=O)N)CC(=O)O)CCSC)[C@@H](C)O)CC(=O)O)CCC(=O)O)CCC(=O)O)[C@@H](C)O)N
InChi: InChI=1S/C103H147N27O37S5/c1-10-46(6)80(100(163)123-67(103(166)167)30-50-37-109-54-19-15-14-18-52(50)54)128-99(162)79(45(4)5)127-95(158)66(36-78(144)145)120-85(148)55(20-23-71(105)133)112-90(153)61(31-51-38-108-43-110-51)117-97(160)69-40-170-169-39-53(104)83(146)129-81(47(7)131)102(165)126-70-42-172-171-41-68(96(159)115-59(28-44(2)3)88(151)118-62(32-72(106)134)91(154)116-60(89(152)125-69)29-49-16-12-11-13-17-49)124-86(149)57(22-25-75(138)139)111-84(147)56(21-24-74(136)137)113-94(157)65(35-77(142)143)122-101(164)82(48(8)132)130-87(150)58(26-27-168-9)114-93(156)64(34-76(140)141)121-92(155)63(33-73(107)135)119-98(70)161/h11-19,37-38,43-48,53,55-70,79-82,109,131-132H,10,20-36,39-42,104H2,1-9H3,(H2,105,133)(H2,106,134)(H2,107,135)(H,108,110)(H,111,147)(H,112,153)(H,113,157)(H,114,156)(H,115,159)(H,116,154)(H,117,160)(H,118,151)(H,119,161)(H,120,148)(H,121,155)(H,122,164)(H,123,163)(H,124,149)(H,125,152)(H,126,165)(H,127,158)(H,128,162)(H,129,146)(H,130,150)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,166,167)/t46-,47+,48+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,79-,80-,81-,82-/m0/s1
InChiKey: InChIKey=LXPHPKVWHQLBBA-JHOSIGDNSA-N

性质

安全信息

WGK德国: 3

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