7389-97-1

Name L-Histidine, N-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxopropyl]-
CAS 7389-97-1
Molecular Formula C17H16N4O5
Molecular Weight 356.33
MOL File 7389-97-1.mol
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Chemical Properties

Melting point  215-219 °C (decomp)
Boiling point  757.8±60.0 °C(Predicted)
density  1.488±0.06 g/cm3(Predicted)
pka 3.06±0.10(Predicted)
InChI InChI=1S/C17H16N4O5/c22-14(20-13(17(25)26)7-10-8-18-9-19-10)5-6-21-15(23)11-3-1-2-4-12(11)16(21)24/h1-4,8-9,13H,5-7H2,(H,18,19)(H,20,22)(H,25,26)/t13-/m0/s1
InChIKey PMMWFDIRNLJLDO-ZDUSSCGKSA-N
SMILES C(O)(=O)[C@H](CC1N=CNC=1)NC(=O)CCN1C(=O)C2=C(C1=O)C=CC=C2

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