2-(Trimethylsilyl)ethyl (I+/-S)-I+/--[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-[[4-(2-propen-1-yloxy)phenyl]methoxy]benzenebutanoate

HCID 165366802

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Basic information

CAS: 296774-47-5
Standard SMILES: C=CCOc1ccc(COc2ccc(CC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)OCC[Si](C)(C)C)cc2)cc1
InChIKey: VMUNHTBMCQHLSY-LHEWISCISA-N
Molecular formula: C40H45NO6Si
Average molar mass: 663.9 g/mol
Monoisotopic mass: 663.30161469

Names & identifiers

Preferred name: 2-(Trimethylsilyl)ethyl (I+/-S)-I+/--[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-[[4-(2-propen-1-yloxy)phenyl]methoxy]benzenebutanoate
IUPAC: 2-trimethylsilylethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-[(4-prop-2-enoxyphenyl)methoxy]phenyl]butanoate

Names & synonyms

DTXSID7011030062-(Trimethylsilyl)ethyl (I+/-S)-I+/--[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-[[4-(2-propen-1-yloxy)phenyl]methoxy]benzenebutanoate296774-47-5

Database identifiers

CAS: 296774-47-5
PubChem CID: 165366802
DTXSID: DTXSID701103006

Properties

Computed structural properties

Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 18
Heavy atoms: 48
Formal charge: 0
Complexity: 978

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