94277-47-1 Purity
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The molecular formula of Bis(N-acetyl-L-tryptophanato-O,ON)hydroxyaluminium is C26H28AlN4O7.
The chemical structure of Bis(N-acetyl-L-tryptophanato-O,ON)hydroxyaluminium is not provided in the reference.
The molecular weight of Bis(N-acetyl-L-tryptophanato-O,ON)hydroxyaluminium is 535.5 g/mol.
The InChI of Bis(N-acetyl-L-tryptophanato-O,ON)hydroxyaluminium is "InChI=1S/2C13H14N2O3.Al.H2O/c2*1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;;/h2*2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);;1H2/q;;+2;/p-2/t2*12-;;/m00../s1".
The InChIKey of Bis(N-acetyl-L-tryptophanato-O,ON)hydroxyaluminium is "YRHNXISCZRFHRR-XOCLESOZSA-L".
The canonical SMILES of Bis(N-acetyl-L-tryptophanato-O,ON)hydroxyaluminium is "CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O[Al]OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C.O".
Bis(N-acetyl-L-tryptophanato-O,ON)hydroxyaluminium has 5 hydrogen bond donor counts.
Bis(N-acetyl-L-tryptophanato-O,ON)hydroxyaluminium has 7 hydrogen bond acceptor counts.
Bis(N-acetyl-L-tryptophanato-O,ON)hydroxyaluminium has 12 rotatable bond counts.
Yes, Bis(N-acetyl-L-tryptophanato-O,ON)hydroxyaluminium is a canonicalized compound.