Home > Compound List > Compound details
38261-78-8 molecular structure
click picture or here to close

tert-butyl (2R)-2-amino-3-{[(2R)-2-amino-3-(tert-butoxy)-3-oxopropyl]disulfanyl}propanoate dihydrochloride

ChemBase ID: 293859
Molecular Formular: C14H30Cl2N2O4S2
Molecular Mass: 425.435
Monoisotopic Mass: 424.10240481
SMILES and InChIs

SMILES:
O=C(OC(C)(C)C)[C@@H](N)CSSC[C@H](N)C(=O)OC(C)(C)C.Cl.Cl
Canonical SMILES:
N[C@H](C(=O)OC(C)(C)C)CSSC[C@@H](C(=O)OC(C)(C)C)N.Cl.Cl
InChI:
InChI=1S/C14H28N2O4S2.2ClH/c1-13(2,3)19-11(17)9(15)7-21-22-8-10(16)12(18)20-14(4,5)6;;/h9-10H,7-8,15-16H2,1-6H3;2*1H/t9-,10-;;/m0../s1
InChIKey:
QEFUTIQOPVMOJQ-BZDVOYDHSA-N

Cite this record

CBID:293859 http://www.chembase.cn/molecule-293859.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2R)-2-amino-3-{[(2R)-2-amino-3-(tert-butoxy)-3-oxopropyl]disulfanyl}propanoate dihydrochloride
IUPAC Traditional name
tert-butyl (2R)-2-amino-3-{[(2R)-2-amino-3-(tert-butoxy)-3-oxopropyl]disulfanyl}propanoate dihydrochloride
Synonyms
(2R,2'R)-Di-tert-butyl 3,3'-disulfanediylbis(2-aminopropanoate) dihydrochloride
CAS Number
38261-78-8
MDL Number
MFCD00237452
PubChem SID
180679390
PubChem CID
56777151

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD46706 Please log in.
Data Source Data ID
PubChem 56777151 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8633271  LogD (pH = 7.4) 0.7678438 
Log P 1.0268233  Molar Refractivity 92.0212 cm3
Polarizability 37.290344 Å3 Polar Surface Area 104.64 Å2
Rotatable Bonds 11  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle