Account Deltibant
- Catalog No. :
- ACEEKI243
- CAS No. :
- 140661-97-8
- Molecular Formula :
- C128H194N40O28S2
- Molecular Weight :
- 2805.35
IUPAC Name:N-((2S,4R)-1-(D-arginyl-L-arginyl-L-prolyl)-4-hydroxypyrrolidine-2-carbonyl)glycyl-L-phenylalanyl-S-((R)-1-(6-((S)-3-(((R)-2-((S)-2-(2-((2S,4R)-1-(D-arginyl-L-arginyl-L-prolyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-phenylpropanamido)-3-(((R)-1-(((S)-1-(((S)-1-carboxy-4-guanidinobutyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-oxopropyl)thio)-2,5-dioxopyrrolidin-1-yl)hexyl)-2,5-dioxopyrrolidin-3-yl)-L-cysteinyl-D-phenylalanyl-L-leucyl-L-arginine
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Product Information
| Product Name | Deltibant |
|---|---|
| IUPAC Name | N-((2S,4R)-1-(D-arginyl-L-arginyl-L-prolyl)-4-hydroxypyrrolidine-2-carbonyl)glycyl-L-phenylalanyl-S-((R)-1-(6-((S)-3-(((R)-2-((S)-2-(2-((2S,4R)-1-(D-arginyl-L-arginyl-L-prolyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-phenylpropanamido)-3-(((R)-1-(((S)-1-(((S)-1-carboxy-4-guanidinobutyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-oxopropyl)thio)-2,5-dioxopyrrolidin-1-yl)hexyl)-2,5-dioxopyrrolidin-3-yl)-L-cysteinyl-D-phenylalanyl-L-leucyl-L-arginine |
| Molecular Formula | C128H194N40O28S2 |
| Molecular Weight | 2805.35 |
| SMILES | O=C(N1[C@@H](C[C@H](C1)O)C(NCC(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@@H](CC(C)C)C(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)CC2=CC=CC=C2)=O)CS[C@@H]3C(N(C(C3)=O)CCCCCCN4C([C@@H](CC4=O)SC[C@H](NC([C@@H](NC(CNC([C@H]5N(C[C@@H](C5)O)C([C@H]6N(CCC6)C([C@H](CCCNC(N)=N)NC([C@H](N)CCCNC(N)=N)=O)=O)=O)=O)=O)CC7=CC=CC=C7)=O)C(N[C@@H](C(N[C@@H](CC(C)C)C(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)CC8=CC=CC=C8)=O)=O)=O)=O)CC9=CC=CC=C9)=O)=O)[C@H]%10N(CCC%10)C([C@H](CCCNC(N)=N)NC([C@H](N)CCCNC(N)=N)=O)=O |
| InChI Key | JKUYFMHGTOPVMR-WQVVEKGHSA-N |
| Synonym | Deltibant;Bradycor;L-Arginine, 7,7'-[1,6-hexanediylbis(2,5-dioxo-1,3-pyrrolidinediyl)]bis[D-arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-L-phenylalanyl-L-cysteinyl-D-phenylalanyl-L-leucyl-, stereoisomer |
| CAS No. | 140661-97-8 |
Synthetic Route by SureRoute
2. ACEEKI243 Molecular Building Block Synthetic Route
Cys-McMMAF
NPC-567
(6S,9S,12S,15S,18R,21S)-1,1-diamino-6-((S)-2-(((2S,3R)-1-(((S)-1-(((S)-6-amino-1-(((1S,2R)-1-carboxy-2-hydroxypropyl)amino)-1-oxohexan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-21-((S)-2-amino-3-methylbutanamido)-15-benzyl-9-(hydroxymethyl)-12-isobutyl-18-(mercaptomethyl)-8,11,14,17,20-pentaoxo-2,7,10,13,16,19-hexaazatricos-1-en-23-oic acid