methyl 5-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-2-fluoranyl-benzoate Openeye Name: methyl 2-fluoro-5-[(3-methyl-2-ureido-butanoyl)amino]benzoate CAS Name: 5-[[2-(carbamoylamino)-3-methyl-1-oxobutyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-2-fluorobenzoate Traditional Name: 2-fluoro-5-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid methyl ester Formula: C14H18FN3O4 MolecularWeight: 311.308823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FN3O4/c1-7(2)11(18-14(16)21)12(19)17-8-4-5-10(15)9(6-8)13(20)22-3/h4-7,11H,1-3H3,(H,17,19)(H3,16,18,21)