(3S)-3-[[(2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-3-phenylpropanoic acid

Base Information

• Chemical Name: (3S)-3-[[(2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
• CAS No.: 479203-71-9
• Molecular Formula: C35H41N5O6
• Molecular Weight: 627.7
• UNII: RNM7WQO98Y
• DSSTox Substance ID: DTXSID0043925
• Wikidata: Q81984288
• Mol file: 479203-71-9.mol

Synonyms:(3S)-3-(((2S)-2-(4,4-dimethyl-3-(4-((((2-methylphenyl)amino)carbonyl)amino)benzyl)-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoyl)amino)-3-phenylpropanoic acid;HMR 1031;HMR-1031;HMR1031

Chemical Property of (3S)-3-[[(2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-3-phenylpropanoic acid

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 627.30568404
• Heavy Atom Count: 46
• Complexity: 1100

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CN3C(=O)N(C(=O)C3(C)C)C(CC(C)C)C(=O)NC(CC(=O)O)C4=CC=CC=C4
• Isomeric SMILES: CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CN3C(=O)N(C(=O)C3(C)C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C4=CC=CC=C4