methyl (4S)-4-[[(2S)-2-[[2-[[(3R,4S,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]amino]acetyl]amino]propanoyl]amino]-5-amino-5-oxopentanoate

Base Information

• Chemical Name: methyl (4S)-4-[[(2S)-2-[[2-[[(3R,4S,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]amino]acetyl]amino]propanoyl]amino]-5-amino-5-oxopentanoate
• CAS No.: 107910-43-0
• Molecular Formula: C19H33 N5 O10
• Molecular Weight: 491.49
• DSSTox Substance ID: DTXSID90910583
• Mol file: 107910-43-0.mol

Synonyms:ADGGAIM;N-(2-acetamido-2,3-dideoxyglucopyranos-3-yl)glycyl-alanyl-isoglutamine methyl ester

Chemical Property of methyl (4S)-4-[[(2S)-2-[[2-[[(3R,4S,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]amino]acetyl]amino]propanoyl]amino]-5-amino-5-oxopentanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 982.4°Cat760mmHg
• Flash Point: 548°C
• PSA: 250.10000
• Density: 1.4g/cm³
• LogP: -0.99080
• XLogP3: -4.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 13
• Exact Mass: 491.22274227
• Heavy Atom Count: 34
• Complexity: 751

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CCC(=O)OC)C(=O)N)NC(=O)CNC1C(C(OC(C1O)CO)O)NC(=O)C
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)N)NC(=O)CN[C@@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O