Account 2-((3S,9R,12S,15S,18S,21S,24R,27S,30S,33S,36S,39S,42R,47R,50S,58aS,61R,68R)-33-((1H-imidazol-5-yl)methyl)-21-((1H-indol-3-yl)methyl)-50-(2-amino-2-oxoethyl)-3,18-bis(4-aminobutyl)-68-carbamoyl-27,39-bis(3-guanidinopropyl)-12,15-bis(hydroxymethyl)-36-methyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,60,66-nonadecaoxo-61-(2-((S)-5-oxopyrrolidine-2-carboxamido)acetamido)tetrapentacontahydro-1H,46H-47,24-(epiminopropanodithiomethano)-9,42-(methanodithioethanoiminomethano)pyrrolo[2,1-t1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53]heptadecaazacyclohexapentacontin-30-yl)acetic acid
- Catalog No. :
- ACRAAX759
- CAS No. :
- 936616-33-0
- Molecular Formula :
- C92H139N35O28S6
- Molecular Weight :
- 2375.74
IUPAC Name:2-((3S,9R,12S,15S,18S,21S,24R,27S,30S,33S,36S,39S,42R,47R,50S,58aS,61R,68R)-33-((1H-imidazol-5-yl)methyl)-21-((1H-indol-3-yl)methyl)-50-(2-amino-2-oxoethyl)-3,18-bis(4-aminobutyl)-68-carbamoyl-27,39-bis(3-guanidinopropyl)-12,15-bis(hydroxymethyl)-36-methyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,60,66-nonadecaoxo-61-(2-((S)-5-oxopyrrolidine-2-carboxamido)acetamido)tetrapentacontahydro-1H,46H-47,24-(epiminopropanodithiomethano)-9,42-(methanodithioethanoiminomethano)pyrrolo[2,1-t1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53]heptadecaazacyclohexapentacontin-30-yl)acetic acid
![2-((3S,9R,12S,15S,18S,21S,24R,27S,30S,33S,36S,39S,42R,47R,50S,58aS,61R,68R)-33-((1H-imidazol-5-yl)methyl)-21-((1H-indol-3-yl)methyl)-50-(2-amino-2-oxoethyl)-3,18-bis(4-aminobutyl)-68-carbamoyl-27,39-bis(3-guanidinopropyl)-12,15-bis(hydroxymethyl)-36-methyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,60,66-nonadecaoxo-61-(2-((S)-5-oxopyrrolidine-2-carboxamido)acetamido)tetrapentacontahydro-1H,46H-47,24-(epiminopropanodithiomethano)-9,42-(methanodithioethanoiminomethano)pyrrolo[2,1-t1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53]heptadecaazacyclohexapentacontin-30-yl)acetic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-((3S,9R,12S,15S,18S,21S,24R,27S,30S,33S,36S,39S,42R,47R,50S,58aS,61R,68R)-33-((1H-imidazol-5-yl)methyl)-21-((1H-indol-3-yl)methyl)-50-(2-amino-2-oxoethyl)-3,18-bis(4-aminobutyl)-68-carbamoyl-27,39-bis(3-guanidinopropyl)-12,15-bis(hydroxymethyl)-36-methyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,60,66-nonadecaoxo-61-(2-((S)-5-oxopyrrolidine-2-carboxamido)acetamido)tetrapentacontahydro-1H,46H-47,24-(epiminopropanodithiomethano)-9,42-(methanodithioethanoiminomethano)pyrrolo[2,1-t1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53]heptadecaazacyclohexapentacontin-30-yl)acetic acid |
|---|---|
| IUPAC Name | 2-((3S,9R,12S,15S,18S,21S,24R,27S,30S,33S,36S,39S,42R,47R,50S,58aS,61R,68R)-33-((1H-imidazol-5-yl)methyl)-21-((1H-indol-3-yl)methyl)-50-(2-amino-2-oxoethyl)-3,18-bis(4-aminobutyl)-68-carbamoyl-27,39-bis(3-guanidinopropyl)-12,15-bis(hydroxymethyl)-36-methyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,60,66-nonadecaoxo-61-(2-((S)-5-oxopyrrolidine-2-carboxamido)acetamido)tetrapentacontahydro-1H,46H-47,24-(epiminopropanodithiomethano)-9,42-(methanodithioethanoiminomethano)pyrrolo[2,1-t1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53]heptadecaazacyclohexapentacontin-30-yl)acetic acid |
| Molecular Formula | C92H139N35O28S6 |
| Molecular Weight | 2375.74 |
| SMILES | C[C@@H]1NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@@H]3CCC(=O)N3)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@H](C(N)=O)CSSC[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(N)=O)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C(=O)N2 |
| InChI Key | PQKXBHZHSUVYIL-XAASTXGFSA-N |
| Synonym | mu-conotoxin;XEP-018;CONOTOXIN;ACETY TETRAPEPTIDE-9;Cono Antiwrinkle;L-Cysteinamide, 5-oxo-L-prolylglycyl-L-cysteinyl-L-cysteinyl-L-asparaginylglycyl-L-prolyl-L-lysylglycyl-L-cysteinyl-L-seryl-L-seryl-L-lysyl-L-tryptophyl-L-cysteinyl-L-arginyl-L-α-aspartyl-L-histidyl-L-alanyl-L-arginyl-L-cysteinyl-, cyclic (3→15),(4→21),(10→22)-tris(disulfide);Conotoxin/Conopeptide/CTX;mu-conotoxin USP/EP/BP |
| CAS No. | 936616-33-0 |
Synthetic Route by SureRoute
2. ACRAAX759 Molecular Building Block Synthetic Route
(S)-2-acetamido-N1-((S)-1-(((4R,7S,10S,13S,19S,22S,25R)-4-(((S)-6-amino-1-(((2S,3R)-1-(((S)-1-((S)-2-(((S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)carbamoyl)-7-(3-amino-3-oxopropyl)-10,22-bis(4-aminobutyl)-13,19-bis(3-guanidinopropyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosan-25-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)succinamide
L-serylglycyl-L-glutaminyl-L-tyrosyl-L-alanyl-L-seryl-L-tyrosyl-L-histidyl-L-cysteinyl-L-tryptophyl-L-cysteinyl-L-tryptophyl-L-arginyl-L-aspartyl-L-prolylglycyl-L-arginyl-L-serylglycylglycyl-L-seryl-L-lysine
2,2,2-trifluoroacetic acid--5-((2-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)amino)-2-oxoethyl)amino)-4-(1-((20,23-bis((1H-indol-3-yl)methyl)-9-(2-(2-(2-(2-(2-acetamidoacetamido)-3-carboxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-17-(4-aminobutyl)-37-(3-guanidinopropyl)-31,34-bis(4-hydroxybenzyl)-6-(hydroxymethyl)-40-isobutyl-5,8,16,19,22,25,30,33,36,39,42-undecaoxooctatriacontahydro-1H,13H-dipyrrolo[2,1-e1:2',1'-p][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35]undecaazacyclooctatriacontine-14-carbonyl)threonyltyrosylprolylaspartyl)pyrrolidine-2-carboxamido)-5-oxopentanoic acid (1/1)