Substance P, pro(9)-met(O2)(11)-

Base Information

• Chemical Name: Substance P, pro(9)-met(O2)(11)-
• CAS No.: 110880-54-1
• Molecular Formula: C66H102 N18 O15 S
• Molecular Weight: 1419.69
• DSSTox Substance ID: DTXSID60149404
• Nikkaji Number: J345.758C
• Mol file: 110880-54-1.mol

Synonyms:9-Pro-11-Met(O2)-substance P;9-prolyl-11-methionine(O2)-substance P;substance P, Pro(9)-Met(O2)(11)-;substance P, prolyl(9)-methionine(O2)(11)-

Chemical Property of Substance P, pro(9)-met(O2)(11)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.45g/cm³
• LogP: 0.00000
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 41
• Exact Mass: 1418.74927579
• Heavy Atom Count: 100
• Complexity: 2970

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CCS(=O)(=O)C)C(=O)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)C5CCCN5C(=O)C(CCCN=C(N)N)N
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)N