N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-L-tyrosine

HCID 11212331

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Basic information

CAS: 612484-56-7
Standard SMILES: COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1B1OC(C)(C)C(C)(C)O1
InChIKey: IWFVNRXZTUXSAE-HNNXBMFYSA-N
Molecular formula: C21H32BNO7
Average molar mass: 421.3 g/mol
Monoisotopic mass: 421.2271825

Names & identifiers

Preferred name: N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-L-tyrosine
IUPAC: (2S)-3-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Names & synonyms

DTXSID601113416612484-56-7N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-L-tyrosineN-(tert-Butoxycarbonyl)-O-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-L-tyrosine

Database identifiers

CAS: 612484-56-7
PubChem CID: 11212331
DTXSID: DTXSID601113416

Properties

Computed structural properties

Topological polar surface area: 103 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 615

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