Omega-conotoxin mviic

Structural Information

Molecular Formula

C₁₀₆H₁₇₈N₄₀O₃₂S₇

SMILES

C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H]3CSSC[C@H]4C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N1)CCCCN)CCCCN)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N4)CO)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)CCCCN)[C@@H](C)O)CCSC)CC5=CC=C(C=C5)O)CC(=O)O)C(=O)N)CCCCN)CCCNC(=N)N)CCCNC(=N)N

InChI

InChI=1S/C106H178N40O32S7/c1-53-103(178)146-36-15-23-75(146)101(176)144-74-52-185-183-49-71-89(164)126-43-79(154)130-62(21-13-34-120-105(115)116)90(165)133-60(20-12-33-119-104(113)114)87(162)124-42-78(153)129-61(18-6-10-31-109)91(166)140-70(83(112)158)48-181-184-51-73(100(175)143-72(99(174)139-68(45-147)88(163)125-44-80(155)131-69(46-148)97(172)141-71)50-182-180-47-57(111)84(159)132-59(17-5-9-30-108)86(161)123-41-77(152)128-58(16-4-8-29-107)85(160)122-40-76(151)127-53)142-96(171)67(39-81(156)157)138-95(170)66(38-55-24-26-56(150)27-25-55)137-93(168)65(28-37-179-3)136-102(177)82(54(2)149)145-94(169)63(19-7-11-32-110)134-92(167)64(135-98(74)173)22-14-35-121-106(117)118/h24-27,53-54,57-75,82,147-150H,4-23,28-52,107-111H2,1-3H3,(H2,112,158)(H,122,160)(H,123,161)(H,124,162)(H,125,163)(H,126,164)(H,127,151)(H,128,152)(H,129,153)(H,130,154)(H,131,155)(H,132,159)(H,133,165)(H,134,167)(H,135,173)(H,136,177)(H,137,168)(H,138,170)(H,139,174)(H,140,166)(H,141,172)(H,142,171)(H,143,175)(H,144,176)(H,145,169)(H,156,157)(H4,113,114,119)(H4,115,116,120)(H4,117,118,121)/t53-,54+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-/m0/s1

InChIKey

FHVUTHWUIUXZBY-QLANQDRJSA-N

Compound name

2-[(1R,4S,7S,10S,13S,16S,19S,22R,27R,30S,36S,39S,45R,48S,54S,57R,62R,65S,71S,77S,83S)-62-amino-7,30,65,71-tetrakis(4-aminobutyl)-4,36,39-tris(3-carbamimidamidopropyl)-27-carbamoyl-10-[(1R)-1-hydroxyethyl]-48,54-bis(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-77-methyl-13-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,63,66,69,72,75,78,84,91-pentacosaoxo-24,25,59,60,87,88-hexathia-3,6,9,12,15,18,21,28,31,34,37,40,43,46,49,52,55,64,67,70,73,76,79,85,90-pentacosazatetracyclo[43.40.4.222,57.079,83]hennonacontan-19-yl]acetic acid

Related CIDs

• CID 56841670
• CID 76418977
• CID 156024998