D-ALANYL-D-ALANINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1BVK9QMW8G
EPA CompTox DTXSID601016947

Structure

InChI Key DEFJQIDDEAULHB-QWWZWVQMSA-N
Smiles CC(C(=O)NC(C)C(=O)O)N
InChI
InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12N2O3
Molecular Weight 160.08
AlogP -0.24
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 95.91
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 923-16-0
NORMAN SUSDAT
FDA SRS 1BVK9QMW8G
CONTENTS