Basic information
- CAS
6968-11-2- Standard SMILES
O=C(NC(CSSCC(NC(=O)OCc1ccccc1)C(=O)O)C(=O)O)OCc1ccccc1- InChIKey
PTRQEEVKHMDMCF-UHFFFAOYSA-N- Molecular formula
- C22H24N2O8S2
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.09740808
Overview
See also: N,N'-Bis[(phenylmethoxy)carbonyl]-L-cystine (annotation moved to).
Names & identifiers
- Preferred name
- N,N'-Dicarbobenzyloxy-L-cystine
- IUPAC
- 3-[[2-carboxy-2-(phenylmethoxycarbonylamino)ethyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid
- English name
- N,N'-Bis(benzyloxycarbonyl)-L-cystine
- Molecular formula
- C22H24N2O8S2
- Molecular weight
- 508.57
Names & synonyms
N,N'-Dicarbobenzyloxy-L-cystine(Z-Cys-OH)2(Z-Cys-OH)MFCD00022030NSC677484N,N'-di-Cbz-L-cystineN,N'-Bis-Cbz-L-cystineN,N'-Bis(benzyloxycarbonyl)-L-cystineC22H24N2O8S2N,N'-Dibenzyloxycarbonyl-L-cystinedi-Z-L-CystineDi-CBZ-l-cystine
Show more names
(Cbz-Cys)2(Z-Cys-OH)?DI-CBZ-L-CYST(Z-L-Cys-OH)2(DI-Z-CYS-OH)2(Cbz-L-Cys-OH)2
(Cbz-Cys-OH)2N,N-di-Cbz-L-cystineN-N-Bis-Z-L-cystineNa-Na-Bis-Z-L-cystineSCHEMBL7354938DTXSID10989832N,N-(DI)-CBZ-L-CYSTINENSC20645
Database identifiers
- CAS
6968-11-2- PubChem CID
- 95142
- DTXSID
DTXSID10989832- Nikkaji
- J1.350.023A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 613
Physicochemical properties
- Melting point
- 118 · 118-122 °C (dec.)
- alpha
- -91 · -91 º (c=2% in acetic acid)
- Boiling point
- 766.1 · 766.1±60.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- refractive index
- -91 ° · -91 ° (C=8.8, AcOH)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- almost transparency in Methanol
- form
- Powder
- pka
- 3.15 · 3.15±0.10(Predicted)
- color
- White
- InChIKey
- PTRQEEVKHMDMCF-ROUUACIJSA-N
- CAS DataBase Reference
- 6968 · 6968-11-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN,N''-Dibenzyloxycarbonyl-L-cystine
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers87 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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