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AEA

Summary
Name:(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETIC ACID
Formula:C5 H10 N2 O3 S
Formal charge:0
Formula weight:178.209 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{[(2S)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
OpenEye OEToolkits1.7.62-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]sulfanylethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(CSCC(=O)O)C(N)=O
InChIInChI1.03InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1
InChIKeyInChI1.03ZCLNAXHSEATOAW-GSVOUGTGSA-N
SMILES_CANONICALCACTVS3.385N[C@H](CSCC(O)=O)C(N)=O
SMILESCACTVS3.385N[CH](CSCC(O)=O)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C([C@H](C(=O)N)N)SCC(=O)O
SMILESOpenEye OEToolkits1.7.6C(C(C(=O)N)N)SCC(=O)O

225158

PDB entries from 2024-09-18

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