928711-69-7 Purity
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Specification
The molecular formula of Asischem c63534 is C13H13ClN4O4S.
Asischem c63534 was created on November 13, 2007, and modified on December 30, 2023.
The IUPAC name of Asischem c63534 is 3-amino-3-[2-[(4-chlorophenyl)sulfonylamino]pyrimidin-5-yl]propanoic acid.
The InChI of Asischem c63534 is InChI=1S/C13H13ClN4O4S/c14-9-1-3-10(4-2-9)23(21,22)18-13-16-6-8(7-17-13)11(15)5-12(19)20/h1-4,6-7,11H,5,15H2,(H,19,20)(H,16,17,18).
The molecular weight of Asischem c63534 is 356.79 g/mol.
The Canonical SMILES of Asischem c63534 is C1=CC(=CC=C1S(=O)(=O)NC2=NC=C(C=N2)C(CC(=O)O)N)Cl.
Asischem c63534 has 3 hydrogen bond donor counts.
The topological polar surface area of Asischem c63534 is 144?2.
Asischem c63534 does not have any defined atom stereocenter counts.
Yes, the compound of Asischem c63534 is canonicalized according to the reference.