N-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-L-histidine

Base Information

• Chemical Name: N-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-L-histidine
• CAS No.: 7389-97-1
• Molecular Formula: C17H16N4O5
• Molecular Weight: 356.338
• European Community (EC) Number: 616-029-2
• DSSTox Substance ID: DTXSID60569325
• Nikkaji Number: J1.632.889H
• Wikidata: Q82456450
• Mol file: 7389-97-1.mol

Synonyms:7389-97-1;L-Histidine, N-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxopropyl]-;(2S)-2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid;N-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-L-histidine;(S)-2-(3-(1,3-Dioxoisoindolin-2-yl)propanamido)-3-(1H-imidazol-4-yl)propanoic acid;DTXSID60569325;(2S)-2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

Chemical Property of N-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-L-histidine

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 356.11206962
• Heavy Atom Count: 26
• Complexity: 572

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC(CC3=CN=CN3)C(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)N[C@@H](CC3=CN=CN3)C(=O)O