Threonyl-lysyl-glutaminyl-glutamyl-leucyl-glutamic acid
Basic information
- CAS
149309-75-1- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O- InChIKey
AHORWZXIPMYYSS-ZZSRRFTASA-N- Molecular formula
- C31H54N8O13
- Average molar mass
- 746.8 g/mol
- Monoisotopic mass
- 746.38103381
Overview
neuropetide from Ascaris suum; amino acid sequence given in first source
Names & identifiers
- Preferred name
- Threonyl-lysyl-glutaminyl-glutamyl-leucyl-glutamic acid
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
- English name
- threonyl-lysyl-glutaminyl-glutamyl-leucyl-glutamic acid
- Molecular formula
- C31H54N8O13
- Molecular weight
- 746.81
Names & synonyms
149309-75-1Threonyl-lysyl-glutaminyl-glutamyl-leucyl-glutamic acidTE-6 PeptideThr-lys-gln-glu-leu-gluRefChem:189788SCHEMBL1370314DTXSID90933611(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acidN-[(2S,5S,8S,11S,14S,15R)-14-Amino-11-(4-aminobutyl)-5-(2-carboxyethyl)-1,4,7,10,13,15-hexahydroxy-8-(3-hydroxy-3-iminopropyl)-2-(2-methylpropyl)-3,6,9,12-tetraazahexadeca-3,6,9,12-tetraen-1-ylidene]-L-glutamic acidN-[14-Amino-11-(4-aminobutyl)-5-(2-carboxyethyl)-1,4,7,10,13,15-hexahydroxy-8-(3-hydroxy-3-iminopropyl)-2-(2-methylpropyl)-3,6,9,12-tetraazahexadeca-3,6,9,12-tetraen-1-ylidene]glutamic acidL-Glutamic acid, N-[N-[N-[N2-(N2-L-threonyl-L-lysyl)-L-glutaminyl]-L-α-glutamyl]-L-leucyl]- (9CI)
Database identifiers
- CAS
149309-75-1
Properties
Computed structural properties
- XLogP
- -8.3
- Topological polar surface area
- 373 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 27
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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