Basic information
- CAS
1405-46-5- Standard SMILES
CC(=O)c1cccc(N[C@H]2C(N)[C@@](NC(=O)N(C)C)([C@H](C)O)C(C)(O)C2(O)COC(=O)c2c(C)cccc2O)c1- InChIKey
WVIUOSJLUCTGFK-HLOQPWDHSA-N- Molecular formula
- C28H38N4O8
- Average molar mass
- 558.6 g/mol
- Monoisotopic mass
- 558.26896418
Names & identifiers
- Preferred name
- [(3R,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
- IUPAC
- [(3R,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
Names & synonyms
1405-46-5DTXSID50930863N'-[(1R,4S)-4-(3-Acetylanilino)-5-amino-2,3-dihydroxy-1-[(1S)-1-hydroxyethyl]-3-{[(2-hydroxy-6-methylbenzoyl)oxy]methyl}-2-methylcyclopentyl]-N,N-dimethylcarbamimidic acidN'-[4-(3-Acetylanilino)-5-amino-2,3-dihydroxy-1-(1-hydroxyethyl)-3-{[(2-hydroxy-6-methylbenzoyl)oxy]methyl}-2-methylcyclopentyl]-N,N-dimethylcarbamimidic acid
Database identifiers
- CAS
1405-46-5- PubChem CID
- 32036
- DTXSID
DTXSID50930863
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 951
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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