Basic information
- CAS
924304-75-6- Standard SMILES
CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O- InChIKey
YEUDVPITGRDSHK-SMJWKLSFSA-N- Molecular formula
- C32H41FN4O8
- Average molar mass
- 628.7 g/mol
- Monoisotopic mass
- 628.29084244
Names & identifiers
- Preferred name
- (1S,4R,6S,7Z,14S,18R)-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
- IUPAC
- (1S,4R,6S,7Z,14S,18R)-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
Names & synonyms
SCHEMBL498004CHEMBL3121082
Database identifiers
- CAS
924304-75-6- PubChem CID
- 59554136
- ChEMBL
CHEMBL3121082
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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