68-Tyr-pth (43-68)

Base Information

• Chemical Name: 68-Tyr-pth (43-68)
• CAS No.: 97642-75-6
• Molecular Formula: C126H208 N42 O41
• Molecular Weight: 2967.25652
• DSSTox Substance ID: DTXSID80243099
• Mol file: 97642-75-6.mol

Synonyms:68-Tyr-PTH (43-68);68-tyrosyl-parathyroid hormone (43-68);hPTH (43-68), 68-Tyr-;parathyroid hormone (43-68), 68-Tyr-

Chemical Property of 68-Tyr-pth (43-68)

Chemical Property:

• XLogP3: -22.2
• Hydrogen Bond Donor Count: 49
• Hydrogen Bond Acceptor Count: 49
• Rotatable Bond Count: 105
• Exact Mass: 2966.5515690
• Heavy Atom Count: 209
• Complexity: 6780

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC2=CN=CN2)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C3CCCN3C(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C4CCCN4
• Isomeric SMILES: C[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4