4-[[4-aminocarbonyl-3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-1,2-thiazol-5-yl]carbamoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[[4-aminocarbonyl-3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-1,2-thiazol-5-yl]carbamoylamino]-3-oxidanyl-butanoic acid Openeye Name: 4-[[3-[(4-bromo-2,6-difluoro-phenyl)methoxy]-4-carbamoyl-isothiazol-5-yl]carbamoylamino]-3-hydroxy-butanoic acid CAS Name: 4-[[[[3-[(4-bromo-2,6-difluorophenyl)methoxy]-4-carbamoyl-5-isothiazolyl]amino]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 4-[[3-[(4-bromo-2,6-difluorophenyl)methoxy]-4-carbamoyl-1,2-thiazol-5-yl]carbamoylamino]-3-hydroxybutanoic acid Traditional Name: 4-[[3-(4-bromo-2,6-difluoro-benzyl)oxy-4-carbamoyl-isothiazol-5-yl]carbamoylamino]-3-hydroxy-butyric acid Formula: C16H15BrF2N4O6S MolecularWeight: 509.279306

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)COC2=NSC(=C2C(=O)N)NC(=O)NCC(CC(=O)O)O)F)Br

Isomeric SMILES

C1=C(C=C(C(=C1F)COC2=NSC(=C2C(=O)N)NC(=O)NCC(CC(=O)O)O)F)Br

InChI

InChI=1S/C16H15BrF2N4O6S/c17-6-1-9(18)8(10(19)2-6)5-29-14-12(13(20)27)15(30-23-14)22-16(28)21-4-7(24)3-11(25)26/h1-2,7,24H,3-5H2,(H2,20,27)(H,25,26)(H2,21,22,28)