BXT

(2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid

Created: 2017-10-30
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count1
Bond Count26
Aromatic Bond Count0
2D diagram of BXT

Chemical Component Summary

Name(2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid
FormulaC7 H14 N2 O4
Molecular Weight190.197
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCN(C)C(=O)OC[CH](N)C(O)=O
SMILESOpenEye OEToolkits2.0.6CCN(C)C(=O)OCC(C(=O)O)N
Canonical SMILESCACTVS3.385 CCN(C)C(=O)OC[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 CCN(C)C(=O)OC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C7H14N2O4/c1-3-9(2)7(12)13-4-5(8)6(10)11/h5H,3-4,8H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyInChI1.03 UYBASDIYBHKZCX-YFKPBYRVSA-N

Related Resource References

Resource NameReference
PubChem 137349037