XYC

(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid

Created: 2016-06-10
Last modified:  2024-09-27

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Chemical Details

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

Chemical Component Summary

Name(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid
FormulaC8 H15 N O2
Molecular Weight157.21
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385N[CH](CC1CCCC1)C(O)=O
SMILESOpenEye OEToolkits2.0.5C1CCC(C1)CC(C(=O)O)N
Canonical SMILESCACTVS3.385 N[C@@H](CC1CCCC1)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.5 C1CCC(C1)C[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
InChIKeyInChI1.03 KDYAKYRBGLKMAK-ZETCQYMHSA-N

Related Resource References

Resource NameReference
PubChem 7000137, 7000136
ChEMBL CHEMBL4091021