Account (2R,4R)-4-Methyl-1-((S)-2-(3-methylquinoline-8-sulfonamido)-5-(3-nitroguanidino)pentanoyl)piperidine-2-carboxylic acid
- Catalog No. :
- ACEDIQ728
- CAS No. :
- 74874-10-5
- Molecular Formula :
- C23H31N7O7S
- Molecular Weight :
- 549.61
IUPAC Name:(2R,4R)-4-methyl-1-(N2-((3-methylquinolin-8-yl)sulfonyl)-Nw-nitro-L-arginyl)piperidine-2-carboxylic acid
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Product Information
| Product Name | (2R,4R)-4-Methyl-1-((S)-2-(3-methylquinoline-8-sulfonamido)-5-(3-nitroguanidino)pentanoyl)piperidine-2-carboxylic acid |
|---|---|
| IUPAC Name | (2R,4R)-4-methyl-1-(N2-((3-methylquinolin-8-yl)sulfonyl)-Nw-nitro-L-arginyl)piperidine-2-carboxylic acid |
| MDL No. | MFCD08458426 |
| Molecular Formula | C23H31N7O7S |
| Molecular Weight | 549.61 |
| SMILES | O=C([C@@H]1N(C([C@@H](NS(=O)(C2=C3N=CC(C)=CC3=CC=C2)=O)CCCNC(N[N+]([O-])=O)=N)=O)CC[C@@H](C)C1)O |
| InChI Key | XBDLKMBSCAVLDV-FHLIZLRMSA-N |
| Synonym | 2-PIPERIDINECARBOXYLIC ACID, 1-[5-[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-,[2R-[1(S*), 2ALPHA, 4BETA]]-;2-PIPERIDINECARBOXYLIC ACID, 1-[5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SUFONYL]-1-OXOPENTYL]-4-METHYL-,[2R-[1(S*), 2ALPHA, 4BETA]]-;(2R,4R)-1-[Nitroglycerine-nitro-N2-(3-methyl-8-quinolinesulfonyl)-L-arginyl]-4-methyl-2-piperidinecarboxylic acid;[2R-[1(S*),2α,4β]]-1-[5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-;(2R,4R)-1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-Piperidinecarboxylic acid;[2R-[1(S*),2α,4β]]-1-[5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid;3-methylquinoline-5-sulfonic acid;Agatroban Impurity E |
| CAS No. | 74874-10-5 |
| PubChem CID | 57514094 |
Safety Data
- Pictogram
- Signal Word
- Gefahr
- Hazard Statement(s)
- H228-H332-H315-H319
- Precautionary Statement(s)
- P210-P261-P264-P280-P302+P352+P312-P370+P378
Synthetic Route by SureRoute
2. ACEDIQ728 Molecular Building Block Synthetic Route
(2R,4R)-Ethyl 4-methyl-1-((S)-2-(3-methylquinoline-8-sulfonamido)-5-(3-nitroguanidino)pentanoyl)piperidine-2-carboxylate
(2R,4R)-1-((S)-5-Guanidino-2-(3-methylquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid
(2R,4R)-1-((2S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid
