Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
2-[(2-Acetamido-3-carboxy-1-oxopropyl)amino]pentanedioic acid 3106-85-2 5255

Structure Other Information
Canonical SMILES CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O
Iso SMILES CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O
InChI InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)
InChI Key OPVPGKGADVGKTG-UHFFFAOYSA-N
Formula C11H16N2O8
Mol Weight 304.253
XlogP3 -2.1
Charge 0

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Synonyms Information
CAS Name 2-[(2-acetamido-3-carboxy-1-oxopropyl)amino]pentanedioic acid
IUPAC Name 2-[(2-acetamido-3-carboxy-propanoyl)amino]pentanedioic acid
Openeye Name 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid
Systematic Name 2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanedioic acid
Tratitional Name 2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanedioic acid