Basic information
- CAS
70518-46-6- Standard SMILES
CC(N)C(O)CC(=O)NC(C(=O)NC(OC1OC(C)C(N)C(O)C1O)C(O)c1nc(-c2nc(C(=O)NCCCNCCCCN)cs2)cs1)C(C)O- InChIKey
HOQGTEVUASSCAL-UHFFFAOYSA-N- Molecular formula
- C31H53N9O10S2
- Average molar mass
- 775.9 g/mol
- Monoisotopic mass
- 775.33568127
Names & identifiers
- Preferred name
- (2,4'-Bithiazole)-4-carboxamide, N-(3-((4-aminobutyl)amino)propyl)-2'-(2-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-2-((2-((4-amino-2,4,5-trideoxy-erythro-pentonoyl)amino)-3-hydroxy-1-oxobutyl)amino)-1-hydroxyethyl)-
- IUPAC
- N-[3-(4-aminobutylamino)propyl]-2-[2-[2-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[[2-[(4-amino-3-hydroxypentanoyl)amino]-3-hydroxybutanoyl]amino]-1-hydroxyethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide
Names & synonyms
70518-46-6(2,4'-Bithiazole)-4-carboxamide, N-(3-((4-aminobutyl)amino)propyl)-2'-(2-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-2-((2-((4-amino-2,4,5-trideoxy-erythro-pentonoyl)amino)-3-hydroxy-1-oxobutyl)amino)-1-hydroxyethyl)-N-(3-((4-Aminobutyl)amino)propyl)-2'-(2-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-2-((2-((4-amino-2,4,5-trideoxy-erythro-pentonoyl)amino)-3-hydroxy-1-oxobutyl)amino)-1-hydroxyethyl)-(2,4'-bithiazole)-4-carboxamide
Database identifiers
- CAS
70518-46-6- PubChem CID
- 153259
Properties
Computed structural properties
- XLogP
- -4.4
- Topological polar surface area
- 379 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 21
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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