L-METHIONYL-L-ISOLEUCINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 67UNF5G723
EPA CompTox DTXSID90193859

Structure

InChI Key OGGRSJFVXREKOR-CIUDSAMLSA-N
Smiles CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)O
InChI
InChI=1S/C11H22N2O3S/c1-4-7(2)9(11(15)16)13-10(14)8(12)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22N2O3S1
Molecular Weight 262.14
AlogP 1.52
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 95.91
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 40883-17-8
NORMAN SUSDAT
FDA SRS 67UNF5G723
ChemSpider 4954118.0
CONTENTS