Substance P, 7-L-phenylalaninamide-8-de-L-phenylalanine-9-deglycine-10-de-L-leucine-11-de-L-methioninamide-

Base Information

• Chemical Name: Substance P, 7-L-phenylalaninamide-8-de-L-phenylalanine-9-deglycine-10-de-L-leucine-11-de-L-methioninamide-
• CAS No.: 72226-88-1
• Molecular Formula: C41H66 N14 O9
• Molecular Weight: 0
• ChEMBL ID: CHEMBL2397481
• Mol file: 72226-88-1.mol

Synonyms:CHEMBL2397481;Substance P, 7-L-phenylalaninamide-8-de-L-phenylalanine-9-deglycine-10-de-L-leucine-11-de-L-methioninamide-;BDBM50436546

Chemical Property of Substance P, 7-L-phenylalaninamide-8-de-L-phenylalanine-9-deglycine-10-de-L-leucine-11-de-L-methioninamide-

Chemical Property:

• PSA: 20.23000
• Density: 1.49g/cm³
• LogP: 3.60980
• XLogP3: -4.4
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 27
• Exact Mass: 898.51371974
• Heavy Atom Count: 64
• Complexity: 1670

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)N
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N