OM2

(R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM


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Chemical Component Summary

Name(R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM
Identifiers[2-[[(2~{S})-butan-2-yl]carbamoyl]phenyl]methyl-[(4-carboxy-1,3-benzodioxol-5-yl)methyl]-methyl-azanium
FormulaC22 H27 N2 O5
Molecular Weight399.46
TypeNON-POLYMER
Isomeric SMILESCC[C@H](C)NC(=O)c1ccccc1C[NH+](C)Cc2ccc3c(c2C(=O)O)OCO3
InChIInChI=1S/C22H26N2O5/c1-4-14(2)23-21(25)17-8-6-5-7-15(17)11-24(3)12-16-9-10-18-20(29-13-28-18)19(16)22(26)27/h5-10,14H,4,11-13H2,1-3H3,(H,23,25)(H,26,27)/p+1/t14-/m0/s1
InChIKeyLEXXIHURLIJXII-AWEZNQCLSA-O

Chemical Details

Formal Charge1
Atom Count56
Chiral Atom Count1
Bond Count58
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137349845