SP Sulfoxide

Base Information

• Chemical Name: SP Sulfoxide
• CAS No.: 66013-34-1
• Molecular Formula: C63H98N18O14S
• Molecular Weight: 1363.63
• Nikkaji Number: J1.936.743F

Synonyms:SP sulfoxide;substance P, sulfoxide-;sulfoxide-SP;sulfoxide-substance P

Chemical Property of SP Sulfoxide

Chemical Property:

• PKA: 13.15±0.46(Predicted)
• Density: 1.45±0.1 g/cm3(Predicted)
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 42
• Exact Mass: 1362.72306105
• Heavy Atom Count: 96
• Complexity: 2710

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CCS(=O)C)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCS(=O)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N

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