Home > Compound List > Compound details
2279-16-5 molecular structure
click picture or here to close

(2S)-2-(2-chloroacetamido)-3-methylbutanoic acid

ChemBase ID: 133071
Molecular Formular: C7H12ClNO3
Molecular Mass: 193.62808
Monoisotopic Mass: 193.05057093
SMILES and InChIs

SMILES:
CC(C)[C@@H](C(=O)O)NC(=O)CCl
Canonical SMILES:
ClCC(=O)N[C@H](C(=O)O)C(C)C
InChI:
InChI=1S/C7H12ClNO3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey:
LJRISAYPKJORFZ-LURJTMIESA-N

Cite this record

CBID:133071 http://www.chembase.cn/molecule-133071.html

Collapse All Expand All

NAMES AND DATABASE IDS

DATA SOURCES

CALCULATED PROPERTIES

PROPERTIES

DETAILS

REFERENCES

PATENTS

INTERNET