CAS 3513-03-9: (2S,3S,6R)-3-[[(3R)-3-amino-5-(carbamimidoyl-methyl-amino)pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid hydrochloride
Description:The chemical substance with the name "(2S,3S,6R)-3-[[(3R)-3-amino-5-(carbamimidoyl-methyl-amino)pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid hydrochloride" and CAS number 3513-03-9 is a complex organic compound characterized by its specific stereochemistry and functional groups. It features multiple amino groups, indicative of its potential as a peptide or protein analog, and includes a pyrimidine ring, which is often associated with nucleic acid components. The presence of a carboxylic acid group suggests it can participate in acid-base reactions, while the hydrochloride form indicates it is a salt, enhancing its solubility in water. This compound may exhibit biological activity, potentially serving as a pharmaceutical agent or a biochemical probe due to its structural complexity and the presence of functional groups that can interact with biological targets. Its stereochemistry is crucial for its biological activity, as the orientation of its functional groups can significantly influence its interactions with enzymes or receptors.
Formula:C17H27ClN8O5
InChI:InChI=1S/C17H26N8O5.ClH/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29;/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29);1H/t9-,10-,13+,14-;/m0./s1
InChI key:InChIKey=YQXYQOXRCNEATG-NMQKUDMSSA-N
SMILES:Cl.O=C1N=C(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=N)N)C
![(2S,3S,6R)-3-[[(3R)-3-amino-5-(carbamimidoyl-methyl-amino)pentanoyl]amino]-6-(4-amino-2-oxo-pyrimi…](https://static.cymitquimica.com/cas-image/308936-2s-3s-6r-3-3r-3-amino-5-carbamimidoyl-methyl-amino-pentanoyl-amino-6-4-amino-2-oxo-pyrimidin-1-yl-36-dihydro-2h-pyran-2-carboxylic-acid-hydrochloride.png)
