(E)-N-butyl-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-2-[[(2S)-1-[[(2S)-2-[3-(3-hydroxy-4-iodophenyl)propanoylamino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]propyl]amino]hex-4-enamide

Base Information

• Chemical Name: (E)-N-butyl-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-2-[[(2S)-1-[[(2S)-2-[3-(3-hydroxy-4-iodophenyl)propanoylamino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]propyl]amino]hex-4-enamide
• CAS No.: 130507-23-2
• Molecular Formula: C43H60 I N7 O6
• Molecular Weight: 897.9
• Mol file: 130507-23-2.mol

Synonyms:SDZ 213-776;SDZ-213-776

Chemical Property of (E)-N-butyl-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-2-[[(2S)-1-[[(2S)-2-[3-(3-hydroxy-4-iodophenyl)propanoylamino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]propyl]amino]hex-4-enamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1065.2°C at 760 mmHg
• Flash Point: 598°C
• Density: 1.332g/cm³
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 23
• Exact Mass: 897.36498
• Heavy Atom Count: 57
• Complexity: 1250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCNC(=O)C(CC=CC)NC(C(CC1CCCCC1)NC(CC2=CN=CN2)C(=O)NC(=O)C(CC3=CC=CC=C3)NC(=O)CCC4=CC(=C(C=C4)I)O)O
• Isomeric SMILES: CCCCNC(=O)C(C/C=C/C)N[C@@H]([C@H](CC1CCCCC1)N[C@@H](CC2=CN=CN2)C(=O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCC4=CC(=C(C=C4)I)O)O