Chemotactic tetrapeptide
Basic information
- CAS
112275-27-1- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
CNRIWZMRFHIPDC-SVXFZJLFSA-N- Molecular formula
- C27H42N4O6S
- Average molar mass
- 550.7 g/mol
- Monoisotopic mass
- 550.28250625
Overview
from Staphylococcus aureus; comprises equimolar methionine, leucine, isoleucine, & phenylalanine; inhibits binding of fMet-Leu-Phe-Lys to human monocytes
Names & identifiers
- Preferred name
- Chemotactic tetrapeptide
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
- English name
- chemotactic tetrapeptide
- Molecular formula
- C27H42N4O6S
- Molecular weight
- 550.71
Names & synonyms
Chemotactic tetrapeptide112275-27-1DTXSID90149972RefChem:125115DTXCID2072463f-Met-Ile-Leu-Phe(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acidN-Formyl-L-methionyl-L-isoleucyl-L-leucyl-L-phenylalanineL-Phenylalanine, N-[N-[N-(N-formyl-L-methionyl)-L-isoleucyl]-L-leucyl]- (9CI)
Database identifiers
- CAS
112275-27-1- PubChem CID
- 196667
- DTXSID
DTXSID90149972- Nikkaji
- J705.116F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 775
Physicochemical properties
- Comptox DTXSID
- 90149972 · DTXSID90149972
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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