Basic information
- CAS
827019-01-2- Standard SMILES
NC(=O)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)O- InChIKey
PDQWBDVLFSXLAP-PXQJOHHUSA-N- Molecular formula
- C30H41N15O10
- Average molar mass
- 771.7 g/mol
- Monoisotopic mass
- 771.31608256
Names & identifiers
- Preferred name
- L-Histidyl-L-asparaginyl-L-histidyl-L-asparaginyl-L-histidyl-L-asparagine
- IUPAC
- (2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid
Names & synonyms
827019-01-2DTXSID60837197L-Histidyl-L-asparaginyl-L-histidyl-L-asparaginyl-L-histidyl-L-asparagine
Database identifiers
- CAS
827019-01-2- PubChem CID
- 71417867
- DTXSID
DTXSID60837197
Properties
Computed structural properties
- XLogP
- -9.5
- Topological polar surface area
- 424 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 23
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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