Eledoisin (7-11)
Basic information
- CAS
4846-01-9- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O- InChIKey
COYPJFDNWRWXRU-YTZISMEFSA-N- Molecular formula
- C28H46N6O5S
- Average molar mass
- 578.8 g/mol
- Monoisotopic mass
- 578.32503976
Names & identifiers
- Preferred name
- Eledoisin (7-11)
- IUPAC
- (2S,3S)-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanamide
- English name
- eledoisin (7-11)
- Molecular formula
- C28H46N6O5S
- Molecular weight
- 578.77
Names & synonyms
Eledoisin (7-11)4846-01-9DTXSID50197530L-Methioninamide, L-phenylalanyl-L-isoleucylglycyl-L-leucyl-RefChem:136469DTXCID10120021(2S,3S)-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanamideorb1986090l-phenylalanyl-l-isoleucylglycyl-l-leucyl-l-methioninamideAKOS040751669T31612L-Methioninamide, L-phenylalanyl-L-isoleucylglycyl-L-leucyl- (9CI)
Database identifiers
- CAS
4846-01-9- PubChem CID
- 193399
- DTXSID
DTXSID50197530
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 836
Physicochemical properties
- Melting point
- 170 °C · 170 °C (decomp)
- Boiling point
- 938.5 · 938.5±65.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- pka
- 13.26 · 13.26±0.46(Predicted)
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Related reactions
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Compound notes
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