Account (3S,6S,9R,14R,17S,22aS)-14-((S)-2-((S)-6-amino-2-((3S,6S,9R,14R,17S,22aS)-14-amino-3,17-bis(3-((diaminomethylene)amino)propyl)-6-isobutyl-1,4,7,15,18-pentaoxoicosahydropyrrolo[2,1-m][1,2]dithia[5,8,11,14,17]pentaazacycloicosine-9-carboxamido)hexanamido)-3-(1H-imidazol-5-yl)propanamido)-3,17-bis(3-((diaminomethylene)amino)propyl)-6-isobutyl-1,4,7,15,18-pentaoxoicosahydropyrrolo[2,1-m][1,2]dithia[5,8,11,14,17]pentaazacycloicosine-9-carboxylic acid
- Catalog No. :
- ACFXLW405
- CAS No. :
- 1313027-43-8
- Molecular Formula :
- C70H121N29O15S4
- Molecular Weight :
- 1737.19
IUPAC Name:(3S,6S,9R,14R,17S,22aS)-14-((S)-2-((S)-6-amino-2-((3S,6S,9R,14R,17S,22aS)-14-amino-3,17-bis(3-((diaminomethylene)amino)propyl)-6-isobutyl-1,4,7,15,18-pentaoxoicosahydropyrrolo[2,1-m][1,2]dithia[5,8,11,14,17]pentaazacycloicosine-9-carboxamido)hexanamido)-3-(1H-imidazol-5-yl)propanamido)-3,17-bis(3-((diaminomethylene)amino)propyl)-6-isobutyl-1,4,7,15,18-pentaoxoicosahydropyrrolo[2,1-m][1,2]dithia[5,8,11,14,17]pentaazacycloicosine-9-carboxylic acid
![(3S,6S,9R,14R,17S,22aS)-14-((S)-2-((S)-6-amino-2-((3S,6S,9R,14R,17S,22aS)-14-amino-3,17-bis(3-((diaminomethylene)amino)propyl)-6-isobutyl-1,4,7,15,18-pentaoxoicosahydropyrrolo[2,1-m][1,2]dithia[5,8,11,14,17]pentaazacycloicosine-9-carboxamido)hexanamido)-3-(1H-imidazol-5-yl)propanamido)-3,17-bis(3-((diaminomethylene)amino)propyl)-6-isobutyl-1,4,7,15,18-pentaoxoicosahydropyrrolo[2,1-m][1,2]dithia[5,8,11,14,17]pentaazacycloicosine-9-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,6S,9R,14R,17S,22aS)-14-((S)-2-((S)-6-amino-2-((3S,6S,9R,14R,17S,22aS)-14-amino-3,17-bis(3-((diaminomethylene)amino)propyl)-6-isobutyl-1,4,7,15,18-pentaoxoicosahydropyrrolo[2,1-m][1,2]dithia[5,8,11,14,17]pentaazacycloicosine-9-carboxamido)hexanamido)-3-(1H-imidazol-5-yl)propanamido)-3,17-bis(3-((diaminomethylene)amino)propyl)-6-isobutyl-1,4,7,15,18-pentaoxoicosahydropyrrolo[2,1-m][1,2]dithia[5,8,11,14,17]pentaazacycloicosine-9-carboxylic acid |
|---|---|
| IUPAC Name | (3S,6S,9R,14R,17S,22aS)-14-((S)-2-((S)-6-amino-2-((3S,6S,9R,14R,17S,22aS)-14-amino-3,17-bis(3-((diaminomethylene)amino)propyl)-6-isobutyl-1,4,7,15,18-pentaoxoicosahydropyrrolo[2,1-m][1,2]dithia[5,8,11,14,17]pentaazacycloicosine-9-carboxamido)hexanamido)-3-(1H-imidazol-5-yl)propanamido)-3,17-bis(3-((diaminomethylene)amino)propyl)-6-isobutyl-1,4,7,15,18-pentaoxoicosahydropyrrolo[2,1-m][1,2]dithia[5,8,11,14,17]pentaazacycloicosine-9-carboxylic acid |
| MDL No. | MFCD30536374 |
| Molecular Formula | C70H121N29O15S4 |
| Molecular Weight | 1737.19 |
| SMILES | CC(C)C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N2)CSSC[C@@H](C(=O)O)NC1=O |
| InChI Key | BMJYNYGARUVBJU-CSRTWURCSA-N |
| Synonym | MM 54;L-Cysteine, L-cysteinyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-cysteinyl-L-lysyl-L-histidyl-L-cysteinyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-, cyclic (1→6),(9→14)-bis(disulfide);Cys9-Cys14);H-Cys-Arg-Pro-Arg-Leu-Cys-Lys-His-Cys-Arg-Pro-Arg-Leu-Cys-OH(Disulfide bridge：Cys1-Cys6;MM 54 （TFA salt） |
| CAS No. | 1313027-43-8 |
Synthetic Route by SureRoute
2. ACFXLW405 Molecular Building Block Synthetic Route
3-((3S,6R,9S,12S,15S,18S,21S,24S,27S,30R,35R,38S,41S,46aS,49R)-9,18-bis((1H-imidazol-4-yl)methyl)-24,41-bis(2-amino-2-oxoethyl)-49-(2-aminoacetamido)-30-carbamoyl-21,38-bis(hydroxymethyl)-12,27-diisobutyl-3-isopropyl-1,4,7,10,13,16,19,22,25,28,36,39,42,48-tetradecaoxodotetracontahydro-1H,34H-35,6-(epiminopropanodithiomethano)pyrrolo[2,1-h1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41]tridecaazacyclotetratetracontin-15-yl)propanoic acid
3-((3S,6S,9S,12S,15R,18S,21S,24S,27R,32R,35S,38S,43aS,46S,49R)-49-amino-27-(((S)-5-amino-1-(((S)-5-amino-1-(((S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)amino)-1,5-dioxopentan-2-yl)amino)-1,5-dioxopentan-2-yl)carbamoyl)-46-(2-amino-2-oxoethyl)-35-(4-aminobutyl)-21,24-bis(3-guanidinopropyl)-6-((R)-1-hydroxyethyl)-12-isobutyl-9,18,38-trimethyl-1,4,7,10,13,16,19,22,25,33,36,39,45,48-tetradecaoxotetracontahydro-31H-32,15-(epiminoethanoiminopropanodithiomethano)pyrrolo[2,1-e1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38]dodecaazacyclohentetracontin-3-yl)propanoic acid
((4R,7S,10S,13S,16S,19S,25S,28R)-10-((1H-imidazol-5-yl)methyl)-7,13-bis(3-amino-3-oxopropyl)-28-((S)-2-aminopropanamido)-16,25-bis((R)-1-hydroxyethyl)-19-(hydroxymethyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosane-4-carbonyl)glycine