4-Methoxybenzyl (6R,7R)-7-[(R)-2-t-butoxycarbonylamino-2-(4-hydroxyphenyl)acetamido]-3-[(R)-tetrahydrofuran-2-yl]ceph-3-em-4-carboxylate
Basic information
- Standard SMILES
COc1ccc(COC(=O)C2=C([C@H]3CCCO3)CS[C@@H]3[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c4ccc(O)cc4)C(=O)N23)cc1- InChIKey
ZFOBXJJKGYRIHG-DOUCHOMGSA-N- Molecular formula
- C32H37N3O9S
- Average molar mass
- 639.7 g/mol
Names & identifiers
- Preferred name
- 4-Methoxybenzyl (6R,7R)-7-[(R)-2-t-butoxycarbonylamino-2-(4-hydroxyphenyl)acetamido]-3-[(R)-tetrahydrofuran-2-yl]ceph-3-em-4-carboxylate
- IUPAC
- (4-methoxyphenyl)methyl (6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-8-oxo-3-[(2R)-oxolan-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
ZFOBXJJKGYRIHG-DOUCHOMGSA-N4-Methoxybenzyl (6R,7R)-7-[(R)-2-t-butoxycarbonylamino-2-(4-hydroxyphenyl)acetamido]-3-[(R)-tetrahydrofuran-2-yl]ceph-3-em-4-carboxylate
Database identifiers
- PubChem CID
- 54544455
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
2 records
Compound notes
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