BYK

[(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium

Created: 2017-11-01
Last modified:  2018-05-02

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Chemical Details

Formal Charge1
Atom Count48
Chiral Atom Count1
Bond Count51
Aromatic Bond Count11
2D diagram of BYK
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Chemical Component Summary

Name[(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
Systematic Name (OpenEye OEToolkits)[(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
FormulaC21 H21 N2 O3 S
Molecular Weight381.468
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O
SMILESOpenEye OEToolkits2.0.6C[NH+](C)C1=C2N(C(CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4
Canonical SMILESCACTVS3.385 C[NH+](C)C1=C2SC[C@H](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 C[NH+](C)C1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4
InChIInChI1.03 InChI=1S/C21H20N2O3S/c1-22(2)19-15(10-14-8-5-7-13-6-3-4-9-16(13)14)11-18(24)23-17(21(25)26)12-27-20(19)23/h3-9,11,17H,10,12H2,1-2H3,(H,25,26)/p+1/t17-/m0/s1
InChIKeyInChI1.03 BCEJXMPUFHXHBT-KRWDZBQOSA-O

Related Resource References

Resource NameReference
PubChem 137349038