L-Prolinamide, N-((hexahydro-1-ethyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate

Base Information

• Chemical Name: L-Prolinamide, N-((hexahydro-1-ethyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate
• CAS No.: 128056-02-0
• Molecular Formula: C18H25 N7 O5
• Molecular Weight: 419.435
• DSSTox Substance ID: DTXSID90155790
• Wikidata: Q76279693
• Mol file: 128056-02-0.mol

Synonyms:L-Prolinamide, N-((hexahydro-1-ethyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate;128056-02-0;C18H25N7O5.H2O;DTXSID90155790;C18-H25-N7-O5.H2-O;LS-118847

Chemical Property of L-Prolinamide, N-((hexahydro-1-ethyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate

Chemical Property:

• Density: 1.408g/cm³
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 419.19171692
• Heavy Atom Count: 30
• Complexity: 730

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N
• Isomeric SMILES: CCN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N

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