L-Asparaginyl-L-histidyl-L-glutaminylglycylglycylglycine
Basic information
- CAS
868170-43-8- Standard SMILES
NC(=O)CC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)O- InChIKey
WHZPXOAYMRGKCI-AVGNSLFASA-N- Molecular formula
- C21H32N10O9
- Average molar mass
- 568.5 g/mol
- Monoisotopic mass
- 568.23537264
Names & identifiers
- Preferred name
- L-Asparaginyl-L-histidyl-L-glutaminylglycylglycylglycine
- IUPAC
- 2-[[2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
Names & synonyms
868170-43-8L-Asparaginyl-L-histidyl-L-glutaminylglycylglycylglycineDTXSID60833210
Database identifiers
- CAS
868170-43-8- PubChem CID
- 71413699
- DTXSID
DTXSID60833210
Properties
Computed structural properties
- XLogP
- -8.4
- Topological polar surface area
- 324 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 977
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Compound notes
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