Products 85754-59-2
CAS 85754-59-2 is the registry number for Ambamustine. Offered by: MedChemExpress. Available pack sizes: Get quote.
Ethyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylsulfanylbutanoate (CAS 85754-59-2) is a chemical compound with the molecular formula C29H39Cl2FN4O4S and a molecular weight of 629.6 g/mol. IUPAC name: ethyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylsulfanylbutanoate. InChIKey: XPGDODOEEWLHOI-GSDHBNRESA-N.
| Molecular formula | C29H39Cl2FN4O4S |
|---|---|
| Molecular weight | 629.6 g/mol |
| IUPAC name | ethyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylsulfanylbutanoate |
| InChIKey | XPGDODOEEWLHOI-GSDHBNRESA-N |
| SMILES | CCOC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CC(=CC=C1)N(CCCl)CCCl)NC(=O)[C@H](CC2=CC=C(C=C2)F)N |
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