92086-93-6 Purity
96%
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The molecular weight of Acetyl-s-(4-cyano(phenylamino)methyl)cysteine is 293.34 g/mol.
The IUPAC name of Acetyl-s-(4-cyano(phenylamino)methyl)cysteine is acetyl (2R)-2-amino-3-[(4-cyanoanilino)methylsulfanyl]propanoate.
The InChI of Acetyl-s-(4-cyano(phenylamino)methyl)cysteine is InChI=1S/C13H15N3O3S/c1-9(17)19-13(18)12(15)7-20-8-16-11-4-2-10(6-14)3-5-11/h2-5,12,16H,7-8,15H2,1H3/t12-/m0/s1.
The InChIKey of Acetyl-s-(4-cyano(phenylamino)methyl)cysteine is LSXQHYCJHXPZNC-LBPRGKRZSA-N.
The canonical SMILES of Acetyl-s-(4-cyano(phenylamino)methyl)cysteine is CC(=O)OC(=O)C(CSCNC1=CC=C(C=C1)C#N)N.
Acetyl-s-(4-cyano(phenylamino)methyl)cysteine has 2 hydrogen bond donor counts.
Acetyl-s-(4-cyano(phenylamino)methyl)cysteine has 7 hydrogen bond acceptor counts.
Acetyl-s-(4-cyano(phenylamino)methyl)cysteine has 8 rotatable bond counts.
The topological polar surface area of Acetyl-s-(4-cyano(phenylamino)methyl)cysteine is 131 ?2.
Yes, Acetyl-s-(4-cyano(phenylamino)methyl)cysteine is canonicalized.