1-L-Tyrosine-4-L-Histidine-9-L-Lysine-10-L-Asparagine-11-L-Phenylalanine-12-L-Aspartic Acid-Conotoxin G I
[CAS# 135190-31-7]

Identification

• Name: 1-L-Tyrosine-4-L-Histidine-9-L-Lysine-10-L-Asparagine-11-L-Phenylalanine-12-L-Aspartic Acid-Conotoxin G I
• Synonyms: Alpha-Conotoxin Sia
• Molecular Formula: C₆₀H₈₂N₁₈O₁₇S₄
• Molecular Weight: 1455.66
• CAS Registry Number: 135190-31-7
• SMILES: [C@@H]12CCCN1C([C@@H](NC([C@H]3NC([C@H](CSSC[C@H](NC([C@@H](NC2=O)C)=O)C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CSSC3)C(N)=O)=O)CC(O)=O)=O)CC4=CC=CC=C4)=O)CC(N)=O)=O)CCCCN)=O)=O)NC(=O)[C@H](CC5=CC=C(C=C5)O)N)=O)=O)CC6=CN=C[NH]6)=O
• InChI: 1S/C60H82N18O17S4/c1-30-50(85)75-42-26-97-99-27-43(76-51(86)35(62)18-32-12-14-34(79)15-13-32)58(93)77-44(57(92)73-40(20-33-23-65-29-67-33)60(95)78-17-7-11-45(78)59(94)68-30)28-98-96-25-41(49(64)84)74-56(91)39(22-48(82)83)72-54(89)37(19-31-8-3-2-4-9-31)70-55(90)38(21-46(63)80)71-53(88)36(10-5-6-16-61)69-47(81)24-66-52(42)87/h2-4,8-9,12-15,23,29-30,35-45,79H,5-7,10-11,16-22,24-28,61-62H2,1H3,(H2,63,80)(H2,64,84)(H,65,67)(H,66,87)(H,68,94)(H,69,81)(H,70,90)(H,71,88)(H,72,89)(H,73,92)(H,74,91)(H,75,85)(H,76,86)(H,77,93)(H,82,83)/t30-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
• InChIKey: AABGBLUUWZOOHU-NHONWNSMSA-N