4-acetamido-3-(2-azanylbutanoylamino)benzoic acid

Systemtic Name: 4-acetamido-3-(2-azanylbutanoylamino)benzoic acid Openeye Name: 4-acetamido-3-(2-aminobutanoylamino)benzoic acid CAS Name: 4-acetamido-3-[(2-amino-1-oxobutyl)amino]benzoic acid IUPAC Name: 4-acetamido-3-(2-aminobutanoylamino)benzoic acid Traditional Name: 4-acetamido-3-(2-aminobutanoylamino)benzoic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)NC(=O)C)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)NC(=O)C)N

InChI

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