U2M

(2S)-2-amino-7-sulfanylheptanoic acid

Created: 2020-04-09
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count1
Bond Count25
Aromatic Bond Count0
2D diagram of U2M

Chemical Component Summary

Name(2S)-2-amino-7-sulfanylheptanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-7-sulfanyl-heptanoic acid
FormulaC7 H15 N O2 S
Molecular Weight177.264
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01NC(C(O)=O)CCCCCS
SMILESCACTVS3.385N[CH](CCCCCS)C(O)=O
SMILESOpenEye OEToolkits2.0.7C(CCC(C(=O)O)N)CCS
Canonical SMILESCACTVS3.385 N[C@@H](CCCCCS)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 C(CC[C@@H](C(=O)O)N)CCS
InChIInChI1.03 InChI=1S/C7H15NO2S/c8-6(7(9)10)4-2-1-3-5-11/h6,11H,1-5,8H2,(H,9,10)/t6-/m0/s1
InChIKeyInChI1.03 QICNSJMVLZSQPX-LURJTMIESA-N

Related Resource References

Resource NameReference
PubChem 140091117