Substance P (6-11), orn(6)-
Basic information
- CAS
102979-72-6- Standard SMILES
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN)C(N)=O- InChIKey
HPOCYHUDQWANBX-IIZANFQQSA-N- Molecular formula
- C36H54N8O6S
- Average molar mass
- 726.9 g/mol
- Monoisotopic mass
- 726.38870265
Names & identifiers
- Preferred name
- Substance P (6-11), orn(6)-
- IUPAC
- (2S)-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide
- English name
- substance P (6-11), Orn(6)-
- Molecular formula
- C36H54N8O6S
- Molecular weight
- 726.93
Names & synonyms
Substance P (6-11), orn(6)-6-Orn-substance P (6-11)102979-72-6Substance P (6-11), ornithine(6)-DTXSID30145599RefChem:186286DTXCID8068090L-Ornithyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamideCHEMBL23653L-Methioninamide, L-ornithyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-Methioninamide, L-ornithyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl- (9CI)
Database identifiers
- CAS
102979-72-6- PubChem CID
- 128227
- DTXSID
DTXSID30145599- ChEMBL
CHEMBL23653- Nikkaji
- J458.532A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 266 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 23
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 1142.4 · 1142.4±65.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- 13.33 · 13.33±0.46(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…