9YH

2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid



Chemical Component Summary

Name2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid
Identifiers2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid
FormulaC22 H28 N2 O6 S
Molecular Weight448.533
TypeNON-POLYMER
Isomeric SMILESCOc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O
InChIInChI=1S/C22H28N2O6S/c1-30-18-8-5-7-17(22(18)29)13-24(15-21(27)28)11-10-23(14-20(25)26)12-16-6-3-4-9-19(16)31-2/h3-9,29H,10-15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyWFZIZUYYKZMMKQ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count0
Bond Count60
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 131842056