4-[[2-(aminocarbonylamino)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(aminocarbonylamino)propanoylamino]methyl]benzoic acid Openeye Name: 4-[(2-ureidopropanoylamino)methyl]benzoic acid CAS Name: 4-[[[2-(carbamoylamino)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[2-(carbamoylamino)propanoylamino]methyl]benzoic acid Traditional Name: 4-[(2-ureidopropanoylamino)methyl]benzoic acid Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)O)NC(=O)N

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)O)NC(=O)N

InChI

InChI=1S/C12H15N3O4/c1-7(15-12(13)19)10(16)14-6-8-2-4-9(5-3-8)11(17)18/h2-5,7H,6H2,1H3,(H,14,16)(H,17,18)(H3,13,15,19)