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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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