Account (3S)-3-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-4-(((5R,8S,11S,14R,15S,21S,24S,27R,30S)-11-(2-(2-aminophenyl)-2-oxoethyl)-21-(3-aminopropyl)-24-(carboxymethyl)-8-((R)-1-carboxypropan-2-yl)-5-(hydroxymethyl)-14,27-dimethyl-3,6,9,12,16,19,22,25,28,32,33-undecaoxo-13-oxa-1,4,7,10,17,20,23,26,29-nonaazabicyclo[28.2.1]tritriacontan-15-yl)amino)-4-oxobutanoic acid
- Catalog No. :
- ACEDQF296
- CAS No. :
- 121869-35-0
- Molecular Formula :
- C72H99N17O25
- Molecular Weight :
- 1602.68
IUPAC Name:(3S)-3-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-4-(((5R,8S,11S,14R,15S,21S,24S,27R,30S)-11-(2-(2-aminophenyl)-2-oxoethyl)-21-(3-aminopropyl)-24-(carboxymethyl)-8-((R)-1-carboxypropan-2-yl)-5-(hydroxymethyl)-14,27-dimethyl-3,6,9,12,16,19,22,25,28,32,33-undecaoxo-13-oxa-1,4,7,10,17,20,23,26,29-nonaazabicyclo[28.2.1]tritriacontan-15-yl)amino)-4-oxobutanoic acid
![(3S)-3-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-4-(((5R,8S,11S,14R,15S,21S,24S,27R,30S)-11-(2-(2-aminophenyl)-2-oxoethyl)-21-(3-aminopropyl)-24-(carboxymethyl)-8-((R)-1-carboxypropan-2-yl)-5-(hydroxymethyl)-14,27-dimethyl-3,6,9,12,16,19,22,25,28,32,33-undecaoxo-13-oxa-1,4,7,10,17,20,23,26,29-nonaazabicyclo[28.2.1]tritriacontan-15-yl)amino)-4-oxobutanoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S)-3-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-4-(((5R,8S,11S,14R,15S,21S,24S,27R,30S)-11-(2-(2-aminophenyl)-2-oxoethyl)-21-(3-aminopropyl)-24-(carboxymethyl)-8-((R)-1-carboxypropan-2-yl)-5-(hydroxymethyl)-14,27-dimethyl-3,6,9,12,16,19,22,25,28,32,33-undecaoxo-13-oxa-1,4,7,10,17,20,23,26,29-nonaazabicyclo[28.2.1]tritriacontan-15-yl)amino)-4-oxobutanoic acid |
|---|---|
| IUPAC Name | (3S)-3-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-4-(((5R,8S,11S,14R,15S,21S,24S,27R,30S)-11-(2-(2-aminophenyl)-2-oxoethyl)-21-(3-aminopropyl)-24-(carboxymethyl)-8-((R)-1-carboxypropan-2-yl)-5-(hydroxymethyl)-14,27-dimethyl-3,6,9,12,16,19,22,25,28,32,33-undecaoxo-13-oxa-1,4,7,10,17,20,23,26,29-nonaazabicyclo[28.2.1]tritriacontan-15-yl)amino)-4-oxobutanoic acid |
| Molecular Formula | C72H99N17O25 |
| Molecular Weight | 1602.68 |
| SMILES | CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H]2CC(=O)N(CC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)C3=CC=CC=C3N)C(=O)O[C@@H]1C)C2=O |
| InChI Key | ORZVJBWXRAJYHN-RWDRXURGSA-N |
| Synonym | Daptomycin Impurity 2;ORZVJBWXRAJYHN-RWDRXURGSA-N;(3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1~{H}-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(5R,8S,11S,14R,15S,21S,24S,27R,30S)-11-[2-(2-aminophenyl)-2-oxoethyl]-21-(3-aminopropyl)-24-(carboxymethyl)-8-[(2R)-1-carboxypropan-2-yl]-5-(hydroxymethyl)-14,27-dimethyl-3,6,9,12,16,19,22,25,28,32,33-undecaoxo-13-oxa-1,4,7,10,17,20,23,26,29-nonazabicyclo[28.2.1]tritriacontan-15-yl]amino]-4-oxobutanoic acid;(3S)-3-((S)-4-amino-2-((S)-2-decanamido;Daptomycin Anhydrous Impurity;Daptomycin impurity 1/Daptomycin Anhydro Impurity;Daptomycin Anhydrous;Benzenebutanoic acid, N-(1-oxodecyl)-L-tryptophyl-D-asparaginyl-L-α-aspartyl-L-threonylglycyl-L-ornithyl-L-α-aspartyl-D-alanyl-(3S)-3-amino-2,5-dioxo-1-pyrrolidineacetyl-D-seryl-(3R)-3-methyl-L-α-glutamyl-α,2-diamino-γ-oxo-, (12→4)-lactone, (αS)- |
| CAS No. | 121869-35-0 |
Synthetic Route by SureRoute
2. ACEDQF296 Molecular Building Block Synthetic Route
(3S,6S,9S,19R,22S,25R)-31-((S)-2-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-25-(3-aminopropyl)-22-(carboxymethyl)-6-((S)-1-carboxypropan-2-yl)-9-(hydroxymethyl)-19,32-dimethyl-2,5,8,11,14,18,21,24,27,30-decaoxo-1-oxa-4,7,10,13,17,20,23,26,29-nonaazacyclodotriacontane-16-carboxylic acid
Tirzepatide
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