Account (S)-4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
- Catalog No. :
- ACGNYO051
- CAS No. :
- 1253955-19-9
- Molecular Formula :
- C33H35N3O5
- Molecular Weight :
- 553.66
IUPAC Name:(S)-4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
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Product Information
| Product Name | (S)-4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate |
|---|---|
| IUPAC Name | (S)-4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate |
| Molecular Formula | C33H35N3O5 |
| Molecular Weight | 553.66 |
| SMILES | CC1=C(C=CC(C)=C1)C(OCC2=CC=C(C=C2)[C@H](C(NC3=CC4=C(C=NC=C4)C=C3)=O)CNC(OC(C)(C)C)=O)=O |
| InChI Key | SGFXAHNZJCLVFE-GDLZYMKVSA-N |
| Synonym | (S)-4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate;Benzoic acid, 2,4-dimethyl-, [4-[(1S)-1-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl ester;Netarsudil Impurity 7;Boc amino isoquinoline impurity;Netadil Impurity 1;Netarsudil Intermediate NTDL01;(S)-4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate - [B91972] |
| CAS No. | 1253955-19-9 |
Synthetic Route by SureRoute
2. ACGNYO051 Molecular Building Block Synthetic Route
4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
(S)-4-(3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate dihydrochloride
(R)-4-(3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate