KST

N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE

Created: 2007-06-12
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count1
Bond Count34
Aromatic Bond Count5
2D diagram of KST

Chemical Component Summary

NameN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE
Systematic Name (OpenEye OEToolkits)4-[[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]amino]thiophene-2-carboxylic acid
FormulaC11 H16 N2 O4 S
Molecular Weight272.321
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(N)CCCCNc1cc(sc1)C(=O)O
SMILESCACTVS3.341N[CH](CCCCNc1csc(c1)C(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1c(csc1C(=O)O)NCCCCC(C(=O)O)N
Canonical SMILESCACTVS3.341 N[C@@H](CCCCNc1csc(c1)C(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1c(csc1C(=O)O)NCCCC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C11H16N2O4S/c12-8(10(14)15)3-1-2-4-13-7-5-9(11(16)17)18-6-7/h5-6,8,13H,1-4,12H2,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyInChI1.03 LWCMSOOFWFXQDZ-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 49867207