CYG

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Summary

Name:2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-BUTYRIC ACID
Formula:C8 H14 N2 O5 S
Formal charge:0
Molecular weight:250.272 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-amino-5-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-oxopentanoic acid
OpenEye OEToolkits1.5.0(2S)-2-amino-5-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-5-oxo-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CSC(=O)CCC(C(=O)O)N
SMILES_CANONICALCACTVS3.341N[C@@H](CCC(=O)SC[C@H](N)C(O)=O)C(O)=O
SMILESCACTVS3.341N[CH](CCC(=O)SC[CH](N)C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CC(=O)SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0C(CC(=O)SCC(C(=O)O)N)C(C(=O)O)N
InChIInChI1.03InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)16-3-5(10)8(14)15/h4-5H,1-3,9-10H2,(H,12,13)(H,14,15)/t4-,5-/m0/s1
InChIKeyInChI1.03WYPPJURMNVTTGD-WHFBIAKZSA-N