Basic information
- CAS
70518-45-5- 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)NCCCC(N)CC(=O)NCCCNCCCCN)cs2)cs1)C(C)O- InChIKey
ZFRQNKRBJQEKSA-UHFFFAOYSA-N- Molecular formula
- C37H65N11O11S2
- Average molar mass
- 904.1 g/mol
- Monoisotopic mass
- 903.43064428
Names & identifiers
- Preferred name
- (2,4'-Bithiazole)-4-carboxamide, N-(4-amino-6-((3-((4-aminobutyl)amino)propyl)amino)-6-oxohexyl)-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-[4-amino-6-[3-(4-aminobutylamino)propylamino]-6-oxohexyl]-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
(2,4'-Bithiazole)-4-carboxamide, N-(4-amino-6-((3-((4-aminobutyl)amino)propyl)amino)-6-oxohexyl)-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)-70518-45-5N-(4-Amino-6-((3-((4-aminobutyl)amino)propyl)amino)-6-oxohexyl)-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
70518-45-5- PubChem CID
- 153258
Properties
Computed structural properties
- XLogP
- -5.4
- Topological polar surface area
- 434 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 27
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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