Account 5-(((S)-4-carboxy-1-(((S)-4-carboxy-1-((4-(((S)-1-(((S)-5-carboxy-5-(3-((S)-1,3-dicarboxypropyl)ureido)pentyl)amino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)carbamoyl)benzyl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)-N,N,N-trimethylpyridin-2-aminium 2,2,2-trifluoroacetate
- Catalog No. :
- ACAHTL021
- CAS No. :
- 2226894-58-0
- Molecular Formula :
- C54H64F3N9O18
- Molecular Weight :
- 1184.15
IUPAC Name:5-(((S)-4-carboxy-1-(((S)-4-carboxy-1-((4-(((S)-1-(((S)-5-carboxy-5-(3-((S)-1,3-dicarboxypropyl)ureido)pentyl)amino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)carbamoyl)benzyl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)-N,N,N-trimethylpyridin-2-aminium 2,2,2-trifluoroacetate
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Product Information
| Product Name | 5-(((S)-4-carboxy-1-(((S)-4-carboxy-1-((4-(((S)-1-(((S)-5-carboxy-5-(3-((S)-1,3-dicarboxypropyl)ureido)pentyl)amino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)carbamoyl)benzyl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)-N,N,N-trimethylpyridin-2-aminium 2,2,2-trifluoroacetate |
|---|---|
| IUPAC Name | 5-(((S)-4-carboxy-1-(((S)-4-carboxy-1-((4-(((S)-1-(((S)-5-carboxy-5-(3-((S)-1,3-dicarboxypropyl)ureido)pentyl)amino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)carbamoyl)benzyl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)-N,N,N-trimethylpyridin-2-aminium 2,2,2-trifluoroacetate |
| Molecular Formula | C54H64F3N9O18 |
| Molecular Weight | 1184.15 |
| SMILES | [O-]C(C(F)(F)F)=O.O=C(C1=CC=C(C=C1)CNC([C@H](CCC(O)=O)NC([C@H](CCC(O)=O)NC(C2=CN=C([N+](C)(C)C)C=C2)=O)=O)=O)N[C@H](C(NCCCC[C@@H](C(O)=O)NC(N[C@H](C(O)=O)CCC(O)=O)=O)=O)CC3=CC4=C(C=CC=C4)C=C3 |
| InChI Key | QQFSTGSNRLIZGD-ACXPFIKISA-N |
| Synonym | [5-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[4-[[(2S)-1-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]phenyl]methylamino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]pyridin-2-yl]-trimethylazanium |
| CAS No. | 2226894-58-0 |
Synthetic Route by SureRoute
2. ACAHTL021 Molecular Building Block Synthetic Route
HYNIC-iPSMA
(((S)-5-((S)-2-(4-(((S)-2-((S)-2-amino-4-carboxybutanamido)-4-carboxybutanamido)methyl)benzamido)-3-(naphthalen-2-yl)propanamido)-1-carboxypentyl)carbamoyl)-L-glutamic acid
N-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-Amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide acetate