N-((6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl-L-prolinamide

Base Information

• Chemical Name: N-((6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl-L-prolinamide
• CAS No.: 62305-91-3
• Molecular Formula: C17H24N6O4S
• Molecular Weight: 408.48
• DSSTox Substance ID: DTXSID801166704
• Nikkaji Number: J22.158I

Synonyms:6-Me-5-oxothiomorpholinyl-3-carbonyl-His-ProNH2;6-methyl-5-oxothiomorpholinyl-3-carbonylhistidyl prolinamide;CG 3703;CG-3703;CNK 602A;CNK 603;CNK-602A;CNK-603;Me(6)-oxothiomorpholinyl(5)-carbonylhistidyl(3)-prolinamide;methyl(6)-oxothiomorpholinyl(5)-carbonyl-His(3)-ProNH2;montirelin;montirelin hydrate;montirelin, (3R-cis)-isomer;montirelin, (3R-trans)-isomer;montirelin, (3S-cis)-isomer;montirelin, (3S-trans)-isomer;NS-3;PS 24;PS-24

Chemical Property of N-((6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl-L-prolinamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 994.2°C at 760 mmHg
• Flash Point: 555.1°C
• Density: 1.398
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 408.15797444
• Heavy Atom Count: 28
• Complexity: 647

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1C(=O)NC(CS1)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N
• Isomeric SMILES: CC1C(=O)NC(CS1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N

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