Account A 76154
- Catalog No. :
- ACMXNY933
- CAS No. :
- 136989-30-5
- Molecular Formula :
- C70H93FN12O12
- Molecular Weight :
- 1313.58
IUPAC Name:N-((5R,8S,11R,15S,18R)-18-amino-1-(4-fluorophenyl)-8-(hydroxymethyl)-15-isobutyl-10-(N6-isopropyl-L-lysyl-L-prolyl)-11-methyl-13-(methyl-L-tyrosyl)-5-(naphthalen-1-ylmethyl)-3,6,9,12,14,17-hexaoxo-4,7,10,13,16-pentaazadocosan-22-yl)nicotinamide
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Product Information
| Product Name | A 76154 |
|---|---|
| IUPAC Name | N-((5R,8S,11R,15S,18R)-18-amino-1-(4-fluorophenyl)-8-(hydroxymethyl)-15-isobutyl-10-(N6-isopropyl-L-lysyl-L-prolyl)-11-methyl-13-(methyl-L-tyrosyl)-5-(naphthalen-1-ylmethyl)-3,6,9,12,14,17-hexaoxo-4,7,10,13,16-pentaazadocosan-22-yl)nicotinamide |
| Molecular Formula | C70H93FN12O12 |
| Molecular Weight | 1313.58 |
| SMILES | O=C(NCCCC[C@@H](N)C(N[C@@H](CC(C)C)C(N(C([C@H](CC1=CC=C(O)C=C1)NC)=O)C([C@@H](C)N(C([C@H]2N(C([C@H](CCCCNC(C)C)N)=O)CCC2)=O)C([C@H](CO)NC([C@@H](CC3=C4C=CC=CC4=CC=C3)NC(CCC5=CC=C(F)C=C5)=O)=O)=O)=O)=O)=O)C6=CN=CC=C6 |
| InChI Key | OVJXZVMFCYBEPE-RWRBTDCVSA-N |
| Synonym | A 76154;D-Alaninamide, N-[3-(4-fluorophenyl)-1-oxopropyl]-3-(1-naphthalenyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-N6-(3-pyridinylcarbonyl)-D-lysyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl- |
| CAS No. | 136989-30-5 |
Synthetic Route by SureRoute
2. ACMXNY933 Molecular Building Block Synthetic Route
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
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
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