CMX-2043

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 83V80O4XY1

Structure

InChI Key MQXRTCVZPIHBLD-TUAOUCFPSA-N
Smiles C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCCC[C@@H]1CCSS1)C(=O)O
InChI
InChI=1S/C16H26N2O6S2/c1-10(16(23)24)17-15(22)12(6-7-14(20)21)18-13(19)5-3-2-4-11-8-9-25-26-11/h10-12H,2-9H2,1H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24)/t10-,11+,12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H26N2O6S2
Molecular Weight 406.53
AlogP 1.64
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 12.0
Polar Surface Area 132.8
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 26.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3099551
DrugBank DB12795
FDA SRS 83V80O4XY1
PubChem 49802864
SureChEMBL SCHEMBL9282164
ZINC ZINC000034636021
CONTENTS