Account Sartate
- Catalog No. :
- ACCHWX663
- CAS No. :
- 1518779-60-6
- Molecular Formula :
- C69H103N17O14S2
- Molecular Weight :
- 1458.82
IUPAC Name:((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-19-((R)-2-(5-((8-methyl-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosan-1-yl)amino)-5-oxopentanamido)-3-phenylpropanamido)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-L-threonine
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Product Information
| Product Name | Sartate |
|---|---|
| IUPAC Name | ((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-19-((R)-2-(5-((8-methyl-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosan-1-yl)amino)-5-oxopentanamido)-3-phenylpropanamido)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-L-threonine |
| Molecular Formula | C69H103N17O14S2 |
| Molecular Weight | 1458.82 |
| SMILES | CC12CNCCNCC(CNCCNC2)(NC(CCCC(N[C@H](CC3=CC=CC=C3)C(N[C@@H](CSSC[C@@H](C(N[C@@H]([C@@H](C)O)C(O)=O)=O)NC4=O)C(N[C@@]([H])(CC5=CC=C(O)C=C5)C(N[C@H](CC6=CNC7=CC=CC=C76)C(N[C@@H](CCCCN)C(N[C@@]4([H])[C@H](O)C)=O)=O)=O)=O)=O)=O)=O)CNCCNC1 |
| InChI Key | HXUFICPASZINEN-NMNXQNEXSA-N |
| Synonym | SarTATE;L-Threonine, N-[5-[(8-methyl-3,6,10,13,16,19-hexaazabicyclo[6.6.6]eicos-1-yl)amino]-1,5-dioxopentyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide |
| CAS No. | 1518779-60-6 |
Synthetic Route by SureRoute
2. ACCHWX663 Molecular Building Block Synthetic Route
((4R,7S,16S)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-L-threonine
2,2',2''-(10-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-Indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((1S,2R)-1-carboxy-2-hydroxypropyl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid xacetate salt
L-Threonine, N-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide