4-[[4-aminocarbonyl-3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[[4-aminocarbonyl-3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-3-oxidanyl-butanoic acid Openeye Name: 4-[[3-[(4-bromo-2-fluoro-phenyl)methoxy]-4-carbamoyl-isothiazol-5-yl]carbamoylamino]-3-hydroxy-butanoic acid CAS Name: 4-[[[[3-[(4-bromo-2-fluorophenyl)methoxy]-4-carbamoyl-5-isothiazolyl]amino]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 4-[[3-[(4-bromo-2-fluorophenyl)methoxy]-4-carbamoyl-1,2-thiazol-5-yl]carbamoylamino]-3-hydroxybutanoic acid Traditional Name: 4-[[3-(4-bromo-2-fluoro-benzyl)oxy-4-carbamoyl-isothiazol-5-yl]carbamoylamino]-3-hydroxy-butyric acid Formula: C16H16BrFN4O6S MolecularWeight: 491.288843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)COC2=NSC(=C2C(=O)N)NC(=O)NCC(CC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)F)COC2=NSC(=C2C(=O)N)NC(=O)NCC(CC(=O)O)O

InChI

InChI=1S/C16H16BrFN4O6S/c17-8-2-1-7(10(18)3-8)6-28-14-12(13(19)26)15(29-22-14)21-16(27)20-5-9(23)4-11(24)25/h1-3,9,23H,4-6H2,(H2,19,26)(H,24,25)(H2,20,21,27)