Pki (6-24), D-arginyl(18)-aspartic acid (24)-cyclohexyl ester-

Base Information

• Chemical Name: Pki (6-24), D-arginyl(18)-aspartic acid (24)-cyclohexyl ester-
• CAS No.: 136058-51-0
• Molecular Formula: C97H153N31O29
• Molecular Weight: 2217.44
• Mol file: 136058-51-0.mol

Synonyms:18-D-Arg-24-Asp-cyclohexyl ester-PKi (6-24);PKi (6-24), D-Arg(18)-Asp(24)-cyclohexyl ester-;PKi (6-24), D-arginyl(18)-aspartic acid (24)-cyclohexyl ester-;PKi(m) (6-24);protein kinase inhibitor M (6-24)

Chemical Property of Pki (6-24), D-arginyl(18)-aspartic acid (24)-cyclohexyl ester-

Chemical Property:

• XLogP3: -11.7
• Hydrogen Bond Donor Count: 35
• Hydrogen Bond Acceptor Count: 35
• Rotatable Bond Count: 74
• Exact Mass: 2217.1484028
• Heavy Atom Count: 157
• Complexity: 4940

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CC1C=NC=N1)C(=O)C(C2CCCCC2)OC(=O)C(CC(=O)O)N)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CO)NC(=O)C(C)NC(=O)C(C(C)CC)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)O)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1C=NC=N1)C(=O)C(C2CCCCC2)OC(=O)[C@H](CC(=O)O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H]([C@@H](C)O)N