Account Dirucotide acetate
- Catalog No. :
- ACWMTJ049
- CAS No. :
- 781666-30-6
- Molecular Formula :
- C100H157N25O34
- Molecular Weight :
- 2253.50
IUPAC Name:(S)-5-(((S)-1-((S)-2-(((2R,3S,6S,9S,12S,15S,18S,21S,24S,27S,30S)-24-((1H-imidazol-4-yl)methyl)-12-(2-amino-2-oxoethyl)-15-(4-aminobutyl)-18,21-dibenzyl-9-((S)-sec-butyl)-3-((S)-2-(((S)-1-(((1S,2R)-1-carboxy-2-hydroxypropyl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-2-hydroxy-6,27-diisopropyl-31-methyl-5,8,11,14,17,20,23,26,29-nonaoxo-4,7,10,13,16,19,22,25,28-nonaazadotriacontan-30-yl)carbamoyl)pyrrolidin-1-yl)-4-amino-1,4-dioxobutan-2-yl)amino)-4-((S)-2-amino-3-carboxypropanamido)-5-oxopentanoic acid--acetic acid (1/4)
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Product Information
| Product Name | Dirucotide acetate |
|---|---|
| IUPAC Name | (S)-5-(((S)-1-((S)-2-(((2R,3S,6S,9S,12S,15S,18S,21S,24S,27S,30S)-24-((1H-imidazol-4-yl)methyl)-12-(2-amino-2-oxoethyl)-15-(4-aminobutyl)-18,21-dibenzyl-9-((S)-sec-butyl)-3-((S)-2-(((S)-1-(((1S,2R)-1-carboxy-2-hydroxypropyl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-2-hydroxy-6,27-diisopropyl-31-methyl-5,8,11,14,17,20,23,26,29-nonaoxo-4,7,10,13,16,19,22,25,28-nonaazadotriacontan-30-yl)carbamoyl)pyrrolidin-1-yl)-4-amino-1,4-dioxobutan-2-yl)amino)-4-((S)-2-amino-3-carboxypropanamido)-5-oxopentanoic acid--acetic acid (1/4) |
| Molecular Formula | C100H157N25O34 |
| Molecular Weight | 2253.50 |
| SMILES | O=C(O)CC[C@H](NC([C@@H](N)CC(O)=O)=O)C(N[C@@H](CC(N)=O)C(N1[C@H](C(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CC2=CNC=N2)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC4=CC=CC=C4)C(N[C@@H](CCCCN)C(N[C@@H](CC(N)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](C(C)C)C(N[C@H](C(N5[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(O)=O)[C@H](O)C)=O)=O)CCC5)=O)[C@H](O)C)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CCC1)=O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O |
| InChI Key | AGWHZYPHHINWPT-WPDHDECSSA-N |
| Synonym | Dirucotide acetate |
| CAS No. | 781666-30-6 |
Synthetic Route by SureRoute
2. ACWMTJ049 Molecular Building Block Synthetic Route
(S)-4-((S)-2-((S)-2-((2S,3R)-2-((S)-2-((2S,3S)-2-((S)-1-(L-phenylalanyl-L-valyl)pyrrolidine-2-carboxamido)-3-methylpentanamido)-3-phenylpropanamido)-3-hydroxybutanamido)-3-(1H-imidazol-4-yl)propanamido)-3-hydroxypropanamido)-5-(((S)-1-(((S)-5-amino-1-(((S)-6-amino-1-(((2S,3S)-1-(((S)-1-(((S)-1-(((S)-6-amino-1-(((S)-1-(((S)-1-(((S)-4-amino-1-(((S)-6-amino-1-((2-(((S)-4-amino-1-carboxy-4-oxobutyl)amino)-2-oxoethyl)amino)-1-oxohexan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-1-oxohexan-2-yl)amino)-1,5-dioxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-5-oxopentanoic acid
(S)-4-((S)-2-(2-((S)-2-((S)-2-((2S,3R)-2-((S)-1-(L-valyl-L-threonyl-L-histidyl-L-arginyl-L-leucyl-L-alanylglycyl-L-leucyl-L-leucyl-L-seryl-L-arginyl-L-serylglycylglycyl-L-valyl-L-valyl-L-lysyl-L-aspartyl-L-asparaginyl-L-phenylalanyl-L-valyl)pyrrolidine-2-carboxamido)-3-hydroxybutanamido)-4-amino-4-oxobutanamido)-3-methylbutanamido)acetamido)-3-hydroxypropanamido)-5-(((S)-1-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid
(2S,5S,8S,11S,14S,17S,20S)-20-((S)-2-((S)-2-((S)-2-((S)-1-(L-glutamyl-L-asparaginylglycyl-L-leucyl)pyrrolidine-2-carboxamido)-3-methylbutanamido)-3-(1H-imidazol-4-yl)propanamido)-4-methylpentanamido)-17-(3-amino-3-oxopropyl)-8-benzyl-11-((S)-sec-butyl)-2,5-bis(3-guanidinopropyl)-14-(hydroxymethyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazadocosanedioic acid