2-[(3-bromanyl-4-fluoranyl-phenyl)methylcarbamoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(3-bromanyl-4-fluoranyl-phenyl)methylcarbamoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(3-bromo-4-fluoro-phenyl)methylcarbamoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[[(3-bromo-4-fluorophenyl)methylamino]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(3-bromo-4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoic acid Traditional Name: 2-[(3-bromo-4-fluoro-benzyl)carbamoylamino]-4-methyl-valeric acid Formula: C14H18BrFN2O3 MolecularWeight: 361.206723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)NCC1=CC(=C(C=C1)F)Br

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)NCC1=CC(=C(C=C1)F)Br

InChI

InChI=1S/C14H18BrFN2O3/c1-8(2)5-12(13(19)20)18-14(21)17-7-9-3-4-11(16)10(15)6-9/h3-4,6,8,12H,5,7H2,1-2H3,(H,19,20)(H2,17,18,21)