Account CTTHWGFTLC, CYCLIC
- Catalog No. :
- ACTIED556
- CAS No. :
- 244082-19-7
- Molecular Formula :
- C52H71N13O14S2
- Molecular Weight :
- 1166.35
IUPAC Name:(4R,7S,10S,13S,19S,22S,25S,28S,31R)-22-((1H-imidazol-5-yl)methyl)-19-((1H-indol-3-yl)methyl)-31-amino-13-benzyl-10,25,28-tris((R)-1-hydroxyethyl)-7-isobutyl-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontane-4-carboxylic acid
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Product Information
| Product Name | CTTHWGFTLC, CYCLIC |
|---|---|
| IUPAC Name | (4R,7S,10S,13S,19S,22S,25S,28S,31R)-22-((1H-imidazol-5-yl)methyl)-19-((1H-indol-3-yl)methyl)-31-amino-13-benzyl-10,25,28-tris((R)-1-hydroxyethyl)-7-isobutyl-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontane-4-carboxylic acid |
| Molecular Formula | C52H71N13O14S2 |
| Molecular Weight | 1166.35 |
| SMILES | O=C([C@@H](NC([C@H](CC(C)C)NC([C@H]([C@H](O)C)NC([C@H](CC1=CC=CC=C1)NC(CNC([C@H](CC2=CNC3=C2C=CC=C3)NC([C@H](CC4=CN=CN4)NC([C@H]([C@H](O)C)NC([C@H]([C@H](O)C)N5)=O)=O)=O)=O)=O)=O)=O)=O)CSSC[C@H](N)C5=O)O |
| InChI Key | YAJDFZGRPZQVJN-JIYQNHPRSA-N |
| Synonym | H-Cys-Thr-Thr-His-Trp-Gly-Phe-Thr-Leu-Cys-OH, (Disulfide bond);Matrix Metalloproteinase-2/Matrix Metalloproteinase-9 Inhibitor III;MMP-2/MMP-9 INHIBITOR III;MATRIX METALLOPROTEINASE-2/MATRIX METALLOPROTEINASE-9 INHIBITOR III;L-Cysteine, L-cysteinyl-L-threonyl-L-threonyl-L-histidyl-L-tryptophylglycyl-L-phenylalanyl-L-threonyl-L-leucyl-, cyclic (1→10)-disulfide;CTT 1;CTTHWGFTLC(disulfidebond:1-10);Matrix metalloproteinase MMP-2/MMP-9 Inhibitor III;CTTHWGFTLC, CYCLIC |
| CAS No. | 244082-19-7 |
Synthetic Route by SureRoute
2. ACTIED556 Molecular Building Block Synthetic Route
2-((4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-10,13-Bis((1H-imidazol-4-yl)methyl)-19-((1H-indol-3-yl)methyl)-4-(((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-34-((2S,3S)-2-amino-3-methylpentanamido)-25-(3-amino-3-oxopropyl)-7-(3-guanidinopropyl)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl)acetic acid
32-((25-((1H-imidazol-4-yl)methyl)-7,28-bis((1H-indol-3-yl)methyl)-4-((1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-22-(4-aminobutyl)-16-(2-carboxyethyl)-13-isobutyl-10-isopropyl-31-methyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-34-yl)carbamoyl)-2,30-dioxo-6,9,12,15,18,21,24,27-octaoxa-3,31-diazatetratriacontan-34-oic acid
32-((25-((1H-imidazol-4-yl)methyl)-7,28-bis((1H-indol-3-yl)methyl)-4-((1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-22-(5-aminopentyl)-16-(2-carboxyethyl)-13-isobutyl-10-isopropyl-31-methyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-34-yl)carbamoyl)-2,30-dioxo-6,9,12,15,18,21,24,27-octaoxa-3,31-diazatetratriacontan-34-oic acid