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(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

HCID 178799331
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Basic information

CAS
117106-19-1
Standard SMILES
CN(C(=O)OCc1ccccc1)[C@@H](COC(C)(C)C)C(=O)O
InChIKey
WFGKFRZCVWGNAO-ZDUSSCGKSA-N
Molecular formula
C16H23NO5
Average molar mass
309.36 g/mol

Names & identifiers

Preferred name
(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
IUPAC
(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
English name
Z-N-Me-Ser(tBu)-OH dcha
Molecular formula
C16H23NO5
Molecular weight
309.36

Names & synonyms

117106-19-1(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acidZ-N-Me-Ser(tBu)-OH.DCHAL-Serine, O-(1,1-dimethylethyl)-N-methyl-N-[(phenylmethoxy)carbonyl]-CID 9209560SCHEMBL27245120FM111573Z-L-MESER(TBU)-OHZ-N-Me-Ser(tBu)-OHZ-MESER(TBU)-OH DCHAZ-N-Me-Ser(tBu)-OH dchaZ-N-Me-L-Ser(tBu)-OH DCHA
Show more names
Z-N-ME-SERINE(TBU)-OH DCHA117106-19-1 Z-N-ME-SER(TBU)-OH · DCHABENZYLOXYCARBONYL-N-ALPHA-METHYL-O-T-BUTYL-L-SERINEBENZYLOXYCARBONYL-N-ALPHA-METHYL-O-TERT-BUTYL-L-SERINEn-((Benzyloxy)carbonyl)-o-(tert-Butyl)-n-methyl-l-serine

Database identifiers

CAS
117106-19-1

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
76.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
22
Formal charge
0
Complexity
371

Physicochemical properties

Boiling point
443.794 · 443.794±45.00 °C(Press: 760.00 Torr)(predicted)
Density
1.161 · 1.161±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
-15 °C · -15°C
pka
3.549 · 3.549±0.10(predicted)

Chemistry & industry

Suppliers6 total

梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

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Compound notes

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