A1A7V

S-lactoyl-L-cysteine

Created:2024-09-17
Last modified:  2025-03-12

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count2
Bond Count22
Aromatic Bond Count0
2D diagram of A1A7V

Chemical Component Summary

NameS-lactoyl-L-cysteine
SynonymsS-[(2S)-2-hydroxypropanoyl]-L-cysteine
Systematic Name (OpenEye OEToolkits)(2~{R})-2-azanyl-3-[(2~{S})-2-oxidanylpropanoyl]sulfanyl-propanoic acid
FormulaC6 H11 N O4 S
Molecular Weight193.221
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC(=O)C(N)CSC(=O)C(C)O
SMILESCACTVS3.385C[CH](O)C(=O)SC[CH](N)C(O)=O
SMILESOpenEye OEToolkits2.0.7CC(C(=O)SCC(C(=O)O)N)O
Canonical SMILESCACTVS3.385 C[C@H](O)C(=O)SC[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@H](C(=O)SC[C@@H](C(=O)O)N)O
InChIInChI1.06 InChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h3-4,8H,2,7H2,1H3,(H,9,10)/t3-,4-/m0/s1
InChIKeyInChI1.06 SRTPBDVCLYHKFK-IMJSIDKUSA-N