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ethyl (2S)-3-[4,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-2-trimethylstannylphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

HCID 178573248
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Basic information

CAS
203398-46-3
Standard SMILES
CCOC(=O)[C@H](Cc1cc(OC(=O)OC(C)(C)C)c(OC(=O)OC(C)(C)C)c[c]1[Sn]([CH3])([CH3])[CH3])NC(=O)OC(C)(C)C
InChIKey
ISDCVYKKFXCSCX-UYVPJCOTSA-N
Molecular formula
C29H47NO10Sn
Average molar mass
688.4 g/mol
Monoisotopic mass
689.222199

Names & identifiers

Preferred name
ethyl (2S)-3-[4,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-2-trimethylstannylphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
IUPAC
ethyl (2S)-3-[4,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-2-trimethylstannylphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
English name
N-(tert-butoxycarbonyl)-3,4-di(tert-butoxycarbonyloxy)-6-(trimethylstannyl)-L-phenylalanine ethyl ester
Molecular formula
C29H47NO10Sn
Molecular weight
688.39

Names & synonyms

203398-46-3N-(tert-butoxycarbonyl)-3,4-di(tert-butoxycarbonyloxy)-6-(trimethylstannyl)-L-phenylalanine ethyl esterL-Tyrosine, N,O-bis[(1,1-dimethylethoxy)carbonyl]-5-[[(1,1-dimethylethoxy)carbonyl]oxy]-2-(trimethylstannyl)-, ethyl esterL-Tyrosine, 5[[(1,1-dimethylethoxy)carbonyl]oxy]-N-[(1,1-dimethylethoxy)carbonyl]-2-(trimethylstannyl)-, ethyl ester, 1,1-dimethylethyl carbonate

Database identifiers

CAS
203398-46-3
PubChem CID
10604635
Nikkaji
J3.170.413H

Properties

Computed structural propertiesFilling in

Topological polar surface area
136 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
17
Heavy atoms
41
Formal charge
0
Complexity
911

Physicochemical properties

CAS DataBase Reference
203398 · 203398-46-3

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