CAS
992-62-1 Purity
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992-62-1 Purity
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Specification
The molecular formula is C16H22N4O4S.
The molecular weight is 366.4 g/mol.
The IUPAC name is (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide.
The InChIKey is HQRJJHXKCFABSI-KBPBESRZSA-N.
There are 2 hydrogen bond donor counts.
The XLogP3 value is 0.9.
The heavy atom count is 25.
Yes, the compound is canonicalized.
There are 6 rotatable bond counts.
The topological polar surface area is 147 Å2.