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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-8(2)6-11(17-14(15)21)12(18)16-10-5-3-4-9(7-10)13(19)20/h3-5,7-8,11H,6H2,1-2H3,(H,16,18)(H,19,20)(H3,15,17,21)