4-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]benzoic acid Openeye Name: 4-[(3-methyl-2-ureido-pentanoyl)amino]benzoic acid CAS Name: 4-[[2-(carbamoylamino)-3-methyl-1-oxopentyl]amino]benzoic acid IUPAC Name: 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzoic acid Traditional Name: 4-[(3-methyl-2-ureido-pentanoyl)amino]benzoic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-3-8(2)11(17-14(15)21)12(18)16-10-6-4-9(5-7-10)13(19)20/h4-8,11H,3H2,1-2H3,(H,16,18)(H,19,20)(H3,15,17,21)