(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid

Base Information

• Chemical Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
• CAS No.: 37691-11-5
• Molecular Formula: C27H44N10O6
• Molecular Weight: 604.7
• European Community (EC) Number: 253-631-0
• Metabolomics Workbench ID: 155376
• Pharos Ligand ID: VCHN4CSM7GFX,VCPLMD3TZ69L
• Wikipedia: Antipain
• Mol file: 37691-11-5.mol

Synonyms:Antipain

Chemical Property of (2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid

Chemical Property:

• Refractive Index: 1.631
• PKA: 3.84±0.10(Predicted)
• Density: 1.38 g/cm³
• Storage Temp.: −20°C
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 604.34452916
• Heavy Atom Count: 43
• Complexity: 975

Purity/Quality:

98%,99%, ^*data from raw suppliers

Antipain ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O
• Isomeric SMILES: CC(C)[C@@H](C(=O)NC(CCCN=C(N)N)C=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O