Account AP102
- Catalog No. :
- ACQYNY123
- CAS No. :
- 846569-60-6
- Molecular Formula :
- C50H66I2N12O10S2
- Molecular Weight :
- 1313.09
IUPAC Name:(4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-(4-amino-3-iodophenyl)propanamido)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-10-(4-aminobutyl)-16-(4-hydroxy-3-iodobenzyl)-7-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
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Product Information
| Product Name | AP102 |
|---|---|
| IUPAC Name | (4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-(4-amino-3-iodophenyl)propanamido)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-10-(4-aminobutyl)-16-(4-hydroxy-3-iodobenzyl)-7-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide |
| Molecular Formula | C50H66I2N12O10S2 |
| Molecular Weight | 1313.09 |
| SMILES | O=C([C@@H](NC([C@H](C(C)C)NC([C@H](CCCCN)NC([C@@H](CC1=CNC2=C1C=CC=C2)NC([C@H](CC3=CC=C(O)C(I)=C3)N4)=O)=O)=O)=O)CSSC[C@H](NC([C@H](N)CC5=CC=C(N)C(I)=C5)=O)C4=O)N[C@@H]([C@H](O)C)C(N)=O |
| InChI Key | ISZMJWBQCGWNNM-DQIXCUPKSA-N |
| Synonym | AP 102;AP102;AP-102 |
| CAS No. | 846569-60-6 |
Synthetic Route by SureRoute
2. ACQYNY123 Molecular Building Block Synthetic Route
13-((1H-indol-3-yl)methyl)-19-(2-amino-3-(naphthalen-2-yl)propanamido)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide acetate
BIM-23190
((4R,7S,16S)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-L-threonine