S-(ACETAMIDOMETHYL)-N-(TERT-BUTOXYCARBONYL)-L-CYSTEINE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50173430

Structure

InChI Key HLCTYBOTPCIHTG-QMMMGPOBSA-N
Smiles CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H20N2O5S/c1-7(14)12-6-19-5-8(9(15)16)13-10(17)18-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,14)(H,13,17)(H,15,16)/t8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20N2O5S1
Molecular Weight 292.11
AlogP 1.84
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 111.71
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 19746-37-3
NORMAN SUSDAT
PubChem 88223
ChemSpider 79590.0
CONTENTS