(2S)-N-[(2S)-1-[(2S)-2-amino-3-(4-iodo-1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide

Base Information

• Chemical Name: (2S)-N-[(2S)-1-[(2S)-2-amino-3-(4-iodo-1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide
• CAS No.: 60839-69-2
• Molecular Formula: C16H21 I N6 O4
• Molecular Weight: 488.28
• DSSTox Substance ID: DTXSID40976311
• Wikidata: Q82961151
• Mol file: 60839-69-2.mol

Synonyms:4(5)-I-Im-TRH;5-oxoprolyl-4(5)-iodohistidyl-prolinamide

Chemical Property of (2S)-N-[(2S)-1-[(2S)-2-amino-3-(4-iodo-1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide

Chemical Property:

• Vapor Pressure: 2.68E-31mmHg at 25°C
• Boiling Point: 877.4°C at 760 mmHg
• Flash Point: 484.4°C
• PSA: 157.26000
• Density: 1.763g/cm³
• LogP: 0.55090
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 488.06690
• Heavy Atom Count: 27
• Complexity: 632

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)C(CC2=C(N=CN2)I)N)C(=O)NC(=O)C3CCC(=O)N3
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=C(N=CN2)I)N)C(=O)NC(=O)[C@@H]3CCC(=O)N3