N-Formylnorleucyl-leucyl-phenylalanyl-tyrosine
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Basic information
- CAS
100007-40-7- Standard SMILES
CCC(C)[C@H](NC=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)CC- InChIKey
JLTSZENYPMLEDA-HERDVTPGSA-N- Molecular formula
- C31H42N4O7
- Average molar mass
- 582.7 g/mol
- Monoisotopic mass
- 582.30534969
Names & identifiers
- Preferred name
- N-Formylnorleucyl-leucyl-phenylalanyl-tyrosine
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
- English name
- N-FORMYL-NLE-LEU-PHE-TYR
- Molecular formula
- C31H42N4O7
- Molecular weight
- 582.69
Names & synonyms
Fnle-leu-phe-tyrN-Formylnorleucyl-leucyl-phenylalanyl-tyrosineRefChem:163431100007-40-7(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acidDTXSID50905157N-(1-Hydroxy-2-{[1-hydroxy-2-({1-hydroxy-2-[(hydroxymethylidene)amino]-3-methylpentylidene}amino)-3-methylpentylidene]amino}-3-phenylpropylidene)tyrosineN-[(2S)-1-Hydroxy-2-{[(2S)-1-hydroxy-2-({(2S)-1-hydroxy-2-[(hydroxymethylidene)amino]-3-methylpentylidene}amino)-3-methylpentylidene]amino}-3-phenylpropylidene]-L-tyrosineN-FORMYL-NLE-LEU-PHE-TYRN-FORMYL-NLE-LEUCINE-PHENYLALANINE-TYROSINE)N-formyl-norleucine-leucine-phenylalanine-tyrosineL-Tyrosine, N-[N-[N-(N-formyl-L-norleucyl)-L-leucyl]-L-phenylalanyl]- (9CI)
Database identifiers
- CAS
100007-40-7- PubChem CID
- 127461
- DTXSID
DTXSID50905157
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 887
Physicochemical properties
- Boiling point
- 956.7 · 956.7±65.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.08 · 3.08±0.10(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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