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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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