Account (3S,7S,25S,28S)-33-Azido-25-benzyl-12-(3-chlorobenzyl)-28-(4-hydroxybenzyl)-5,13,20,23,26,29-hexaoxo-4,6,12,19,24,27,30-heptaazatritriacontane-1,3,7-tricarboxylic acid
- Catalog No. :
- ACRWUT345
- CAS No. :
- 2374814-84-1
- Molecular Formula :
- C50H65ClN10O13
- Molecular Weight :
- 1049.58
IUPAC Name:(3S,7S,25S,28S)-33-azido-25-benzyl-12-(3-chlorobenzyl)-28-(4-hydroxybenzyl)-5,13,20,23,26,29-hexaoxo-4,6,12,19,24,27,30-heptaazatritriacontane-1,3,7-tricarboxylic acid
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Product Information
| Product Name | (3S,7S,25S,28S)-33-Azido-25-benzyl-12-(3-chlorobenzyl)-28-(4-hydroxybenzyl)-5,13,20,23,26,29-hexaoxo-4,6,12,19,24,27,30-heptaazatritriacontane-1,3,7-tricarboxylic acid |
|---|---|
| IUPAC Name | (3S,7S,25S,28S)-33-azido-25-benzyl-12-(3-chlorobenzyl)-28-(4-hydroxybenzyl)-5,13,20,23,26,29-hexaoxo-4,6,12,19,24,27,30-heptaazatritriacontane-1,3,7-tricarboxylic acid |
| Molecular Formula | C50H65ClN10O13 |
| Molecular Weight | 1049.58 |
| SMILES | [N-]=[N+]=NCCCNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)CC1=CC(Cl)=CC=C1 |
| InChI Key | IOPQFQLVDGOJHH-MFDNGWNGSA-N |
| Synonym | PSMA-Val-Cit-PAB-Azide |
| CAS No. | 2374814-84-1 |
Synthetic Route by SureRoute
2. ACRWUT345 Molecular Building Block Synthetic Route
(((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
(3S,7S,26R,29R,32R)-29-Benzyl-32-(4-hydroxy-3-iodobenzyl)-5,13,20,28,31,34-hexaoxo-37-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl)-4,6,12,21,27,30,33-heptaazaheptatriacontane-1,3,7,26,37-pentacarboxylic acid
PSMA I&S