Basic information
- Standard SMILES
CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)C(Nc3nc4ccc(CN=CN5CCCCCC5)cc4[nH]3)[C@H]2SC1- InChIKey
YVWZJMIMVYBWMW-ANWICMFUSA-N- Molecular formula
- C29H38N6O5S
- Average molar mass
- 582.7 g/mol
Names & identifiers
- Preferred name
- t-butyl 3-acetoxymethyl-7-(5-hexahydro-1H-azepin-1-ylmethyleneaminomethylbenzimidazol-2-yl)aminoceph-3-em-4-carboxylate
- IUPAC
- tert-butyl (6R)-3-(acetyloxymethyl)-7-[[6-[(azepan-1-ylmethylideneamino)methyl]-1H-benzimidazol-2-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
SCHEMBL11083400YVWZJMIMVYBWMW-ANWICMFUSA-Nt-butyl 3-acetoxymethyl-7-(5-hexahydro-1H-azepin-1-ylmethyleneaminomethylbenzimidazol-2-yl)aminoceph-3-em-4-carboxylate
Database identifiers
- PubChem CID
- 70508669
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
1 records
Compound notes
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