9011-97-6 Purity
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Specification
The molecular formula of Cephalosporinase is C108H93Cl4N29O8.
The molecular weight of Cephalosporinase is 2066.9 g/mol.
The structure of Cephalosporinase is described as 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide.
The IUPAC Name of Cephalosporinase is 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide.
There are 4 hydrogen bond donor counts in Cephalosporinase.
There are 26 hydrogen bond acceptor counts in Cephalosporinase.
The exact mass of Cephalosporinase is 2066.652007 g/mol.
The InChI of Cephalosporinase is InChI=1S/3C27H23ClN8O2.C27H24ClN5O2.
There are 36 rotatable bond counts in Cephalosporinase.
The Canonical SMILES of Cephalosporinase is CC1=CC=C(C=C1)CC(=O)C(CC2=CC=CC=C2)NC(=O)C=CC3=C(C=CC(=C3)Cl)N4C=NN=N4.CC1=CC2=NC(=NN2C=C1)CC(=O)C(CC3=CC=CC=C3)NC(=O)C=CC4=C(C=CC(=C4)Cl)N5C=NN=N5.CC1=CN2C(=NC(=N2)CC(=O)C(CC3=CC=CC=C3)NC(=O)C=CC4=C(C=CC(=C4)Cl)N5C=NN=N5)C=C1.CC1=CN2C(=NC(=N2)CC(=O)C(CC3=CC=CC=C3)NC(=O)C=CC4=C(C=CC(=C4)Cl)N5C=NN=N5)C=C1.