Account Val-Cit-PAB-OH
- Catalog No. :
- ACYUAW971
- CAS No. :
- 159857-79-1
- Molecular Formula :
- C18H29N5O4
- Molecular Weight :
- 379.46
IUPAC Name:(S)-2-((S)-2-amino-3-methylbutanamido)-N-(4-(hydroxymethyl)phenyl)-5-ureidopentanamide
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Product Information
| Product Name | Val-Cit-PAB-OH |
|---|---|
| IUPAC Name | (S)-2-((S)-2-amino-3-methylbutanamido)-N-(4-(hydroxymethyl)phenyl)-5-ureidopentanamide |
| MDL No. | MFCD22381209 |
| Molecular Formula | C18H29N5O4 |
| Molecular Weight | 379.46 |
| SMILES | O=C(NC1=CC=C(CO)C=C1)[C@@H](NC([C@@H](N)C(C)C)=O)CCCNC(N)=O |
| InChI Key | VEGGTWZUZGZKHY-GJZGRUSLSA-N |
| Synonym | AKOS027326644 | CS-5171 | L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- | BCP16796 | DS-12008 | VEGGTWZUZGZKHY-GJZGRUSLSA-N | EX-A3307 | (2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-N-[4-(hydroxymethyl)phenyl]-5-ureido-pentana |
| CAS No. | 159857-79-1 |
| PubChem CID | 54387473 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACYUAW971 Molecular Building Block Synthetic Route
N-((S)-1-(((S)-1-((4-(Hydroxymethyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)hex-5-ynamide
(S)-2-((S)-2-amino-3-methylbutanamido)-5-((diaminomethylene)amino)-N-(4-(hydroxymethyl)phenyl)pentanamide
(S)-2-((S)-2-(2-Azidoacetamido)-3-methylbutanamido)-N-(4-(hydroxymethyl)phenyl)-5-ureidopentanamide