Account 2-(63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-27-(4-hydroxybenzyl)-71-(1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-33-isobutyl-48-methyl-30-(2-(methylthio)ethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl)acetic acid
- Catalog No. :
- ACGJFW513
- CAS No. :
- 107452-89-1
- Molecular Formula :
- C102H172N36O32S7
- Molecular Weight :
- 2639.19
IUPAC Name:2-(63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-27-(4-hydroxybenzyl)-71-(1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-33-isobutyl-48-methyl-30-(2-(methylthio)ethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl)acetic acid
![2-(63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-27-(4-hydroxybenzyl)-71-(1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-33-isobutyl-48-methyl-30-(2-(methylthio)ethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl)acetic acid structure diagram](/images/productimg/no-pic.svg)
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| Product Name | 2-(63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-27-(4-hydroxybenzyl)-71-(1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-33-isobutyl-48-methyl-30-(2-(methylthio)ethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl)acetic acid |
|---|---|
| IUPAC Name | 2-(63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-27-(4-hydroxybenzyl)-71-(1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-33-isobutyl-48-methyl-30-(2-(methylthio)ethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl)acetic acid |
| Molecular Formula | C102H172N36O32S7 |
| Molecular Weight | 2639.19 |
| SMILES | CSCCC1NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C2CSSCC3NC(=O)C(CO)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CSSCC(N)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)N2)NC(=O)C(CSSCC(C(N)=O)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC3=O)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CC=C(O)C=C2)NC1=O |
| InChI Key | BPKIMPVREBSLAJ-UHFFFAOYSA-N |
| Synonym | OMEGA-CONOTOXIN MVIIA;OMEGA-CGTX MVII A;ZICONOTIDE ACETATE;snx111;H-CYS-LYS-GLY-LYS-GLY-ALA-LYS-CYS-SER-ARG-LEU-MET-TYR-ASP-CYS-CYS-THR-GLY-SER-CYS-ARG-SER-GLY-LYS-CYS-NH2;H-CYS-LYS-GLY-LYS-GLY-ALA-LYS-CYS-SER-ARG-LEU-MET-TYR-ASP-CYS-CYS-THR-GLY-SER-CYS-ARG-SER-GLY-LYS-CYS-NH2 (DISULFIDE BRIDGE: 1-16, 8-20, AND 15-25);CYS-LYS-GLY-LYS-GLY-ALA-LYS-CYS-SER-ARG-LEU-MET-TYR-ASP-CYS-CYS-THR-GLY-SER-CYS-ARG-SER-GLY-LYS-CYS-NH2;CKGKGAKCSRLMYDCCTGSCRSGKC-NH2 (DISULFIDE BRIDGE: 1-16,8-20, AND 15-25) |
| CAS No. | 107452-89-1 |
Synthetic Route by SureRoute
2. ACGJFW513 Molecular Building Block Synthetic Route
2-((1R,4S,7S,13S,16R,21R,24S,27S,30S,33S,36S,39S,42R,45S,48S,54S,60S,63R,68R,71S,77S)-63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-27-(4-hydroxybenzyl)-71-((R)-1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-33-isobutyl-48-methyl-30-(2-(methylthio)ethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl)acetic acid--acetic acid (1/1)
2-((3R,12S,24R,29R,32S,38S,41S,47R,50S,56S,59R,64R,67S,73S,79S,84aS)-64-amino-9,32,67,73-tetrakis(4-aminobutyl)-29-carbamoyl-6,38,41-tris(3-guanidinopropyl)-18-(4-hydroxybenzyl)-12-((R)-1-hydroxyethyl)-50,56-bis(hydroxymethyl)-79-methyl-15-(2-(methylthio)ethyl)-1,4,7,10,13,16,19,22,31,34,37,40,43,46,49,52,55,58,65,68,71,74,77,80,86-pentacosaoxooctaheptacontahydro-1H,28H-59,24-(epiminomethano)-3,47-(methanodithiomethano)pyrrolo[2,1-b1][1,2,48,49]tetrathia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,53,56,59,62,65,68,71,74,77,80]tetracosaazacyclodooctacontin-21-yl)acetic acid
((4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,49S,52R)-52-((S)-2-((S)-2-((S)-2-((S)-2-((S)-2-((S)-2-amino-3-hydroxypropanamido)-4-methylpentanamido)-5-guanidinopentanamido)-5-guanidinopentanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-19-(3-amino-3-oxopropyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-31,40-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-22-methyl-37-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carbonyl)-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-L-tyrosine--acetic acid (1/1)