de-Phe-anantin

Base Information

• Chemical Name: de-Phe-anantin
• CAS No.: 133658-46-5
• Molecular Formula: C81H102N20O23
• Molecular Weight: 1723.8
• Mol file: 133658-46-5.mol

Synonyms:de-Phe-anantin;des-phenylalanine-anantin

Chemical Property of de-Phe-anantin

Chemical Property:

• XLogP3: -5.1
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 52
• Exact Mass: 1740.75323426
• Heavy Atom Count: 125
• Complexity: 3810

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)NC(CC4C=NC=N4)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC6=CC=CC=C6)NC(=O)CN
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N[C@@H](CC4C=NC=N4)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)CN