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Basic information
- CAS
94495-17-7- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)O)C(C)C- InChIKey
KWDLFQHJYGQBHQ-UQGDEETHSA-N- Molecular formula
- C40H66N8O10
- Average molar mass
- 819.014 g/mol
- Monoisotopic mass
- 818.49019031
Names & identifiers
- Preferred name
- Cad1 bacterial sex hormone
- IUPAC
- L-Leucyl-L-phenylalanyl-L-seryl-L-leucyl-L-valyl-L-leucyl-L-alanylglycine
- English name
- cAD1 bacterial sex hormone
- Molecular formula
- C40H66N8O10
- Molecular weight
- 819
Names & synonyms
cAD1 bacterial sex hormoneGlycine, L-leucyl-L-phenylalanyl-L-seryl-L-leucyl-L-valyl-L-leucyl-L-alanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetic acid
Database identifiers
- CAS
94495-17-7- PubChem CID
- 146830
- DTXSID
DTXSID50241507- ChEMBL
CHEMBL1631573
Properties
Physicochemical properties
- Boiling point
- 1187 · 1187.0±65.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- pka
- 3.33 · 3.33±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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