Account ((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
- Catalog No. :
- ACAAQY127
- CAS No. :
- 1621717-95-0
- Molecular Formula :
- C40H63N15O17S2
- Molecular Weight :
- 1090.17
IUPAC Name:((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
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Product Information
| Product Name | ((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 |
|---|---|
| IUPAC Name | ((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 |
| Molecular Formula | C40H63N15O17S2 |
| Molecular Weight | 1090.17 |
| SMILES | C[C@H](N)C(=O)N[C@H]1CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC1=O |
| InChI Key | NDGGTJRAQNJEBK-GTKCDMHESA-N |
| Synonym | SPACE peptide;SPACE peptide,AC-TGSTQHQ-CG,Disulfide Bridge 2–10;Glycine, L-alanyl-L-cysteinyl-L-threonylglycyl-L-seryl-L-threonyl-L-glutaminyl-L-histidyl-L-glutaminyl-L-cysteinyl-, cyclic (2→10)-disulfide |
| CAS No. | 1621717-95-0 |
Synthetic Route by SureRoute
2. ACAAQY127 Molecular Building Block Synthetic Route
CHEC-9
(S)-N1-((2S,5S,8S,11S,14S,17S,20S)-11-((1H-imidazol-4-yl)methyl)-1,24-diamino-8-(3-amino-3-oxopropyl)-5-((S)-sec-butyl)-2-(4-hydroxybenzyl)-17-isobutyl-14-methyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazatetracosan-20-yl)-2-((S)-2-((2S,3R)-2-((4R,7S,13S,16S,19R)-19-amino-13-benzyl-16-(3-guanidinopropyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-hydroxybutanamido)-3-methylbutanamido)pentanediamide
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