Sarafotoxin S 6C
[CAS# 121695-87-2]

Identification

• Name: Sarafotoxin S 6C
• Synonyms: Srtx-C; Sarafotoxin- S6c
• Molecular Formula: C₁₀₃H₁₄₇N₂₇O₃₇S₅
• Molecular Weight: 2515.75
• CAS Registry Number: 121695-87-2
• SMILES: C5=C(CC(NC(C(NC(C(NC(C(NC(C(NC(C(CC1=CN=C[NH]1)NC(=O)C3NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C4NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(CSSC3)N)=O)C(C)O)=O)CSSC4)=O)CC(N)=O)=O)CC(=O)O)=O)CCSC)=O)C(C)O)=O)=O)CCC(N)=O)=O)CC(=O)O)=O)C(C)C)=O)C(CC)C)=O)C(=O)O)C6=C([NH]5)C=CC=C6
• 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)
• InChIKey: LXPHPKVWHQLBBA-UHFFFAOYSA-N