2-Leu-deltorphin

Base Information

• Chemical Name: 2-Leu-deltorphin
• CAS No.: 154722-68-6
• Molecular Formula: C91H128 N20 O25
• Molecular Weight: 1902.11
• Mol file: 154722-68-6.mol

Synonyms:2-Leu-deltorphin;deltorphin, D-leucyl(2)-;deltorphin, Leu(2)-

Chemical Property of 2-Leu-deltorphin

Chemical Property:

• Boiling Point: 2134.2±65.0 °C(Predicted)
• PKA: 4.19±0.10(Predicted)
• Density: 1.313±0.06 g/cm3(Predicted)
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 24
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 57
• Exact Mass: 1900.93594965
• Heavy Atom Count: 136
• Complexity: 4090

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)N)NC(=O)C(CO)NC(=O)C(CC1C=NC=N1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC(C)C)NC(=O)C(CC5=CC=C(C=C5)O)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC1C=NC=N1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)N