4-acetamido-3-(4-azanylbutanoylamino)benzoate

Systemtic Name: 4-acetamido-3-(4-azanylbutanoylamino)benzoate Openeye Name: 4-acetamido-3-(4-aminobutanoylamino)benzoate CAS Name: 4-acetamido-3-[(4-amino-1-oxobutyl)amino]benzoate IUPAC Name: 4-acetamido-3-(4-aminobutanoylamino)benzoate Traditional Name: 4-acetamido-3-(4-aminobutanoylamino)benzoate Formula: C13H16N3O4- MolecularWeight: 278.28384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCCN

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCCN

InChI

InChI=1S/C13H17N3O4/c1-8(17)15-10-5-4-9(13(19)20)7-11(10)16-12(18)3-2-6-14/h4-5,7H,2-3,6,14H2,1H3,(H,15,17)(H,16,18)(H,19,20)/p-1