D-Alanine, N-[N2-(N-L-ribo-2-hexulosonoyl-D-I(3)-glutamyl)-L-lysyl]-
Basic information
- CAS
118712-50-8- Standard SMILES
CC(NC(=O)C(CCCCN)NC(=O)CCC(NC(=O)C(=O)C(O)C(O)C(O)CO)C(=O)O)C(=O)O- InChIKey
BHRORUZGNWJMKW-UHFFFAOYSA-N- Molecular formula
- C20H34N4O12
- Average molar mass
- 522.5 g/mol
- Monoisotopic mass
- 522.21732253
Names & identifiers
- Preferred name
- D-Alanine, N-[N2-(N-L-ribo-2-hexulosonoyl-D-I(3)-glutamyl)-L-lysyl]-
- IUPAC
- 5-[[6-amino-1-(1-carboxyethylamino)-1-oxohexan-2-yl]amino]-5-oxo-2-[(3,4,5,6-tetrahydroxy-2-oxohexanoyl)amino]pentanoic acid
Names & synonyms
DTXSID701168802D-Alanine, N-[N2-(N-L-ribo-2-hexulosonoyl-D-I(3)-glutamyl)-L-lysyl]-118712-50-85-({6-Amino-1-[(1-carboxyethyl)amino]-1-oxohexan-2-yl}amino)-5-oxo-2-[(3,4,5,6-tetrahydroxy-2-oxohexanoyl)amino]pentanoic acid
Database identifiers
- CAS
118712-50-8- PubChem CID
- 165351007
- DTXSID
DTXSID701168802
Properties
Computed structural properties
- XLogP
- -6.7
- Topological polar surface area
- 286 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 18
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 793
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Compound notes
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