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

Systemtic Name: 1-[4-[[4-aminocarbonyl-3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-1,2-thiazol-5-yl]carbamoylamino]-3-oxidanyl-butanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[4-[[3-[(4-bromo-2,6-difluoro-phenyl)methoxy]-4-carbamoyl-isothiazol-5-yl]carbamoylamino]-3-hydroxy-butanoyl]piperidine-2-carboxylic acid CAS Name: 1-[4-[[[[3-[(4-bromo-2,6-difluorophenyl)methoxy]-4-carbamoyl-5-isothiazolyl]amino]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[[3-[(4-bromo-2,6-difluorophenyl)methoxy]-4-carbamoyl-1,2-thiazol-5-yl]carbamoylamino]-3-hydroxybutanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-[[3-(4-bromo-2,6-difluoro-benzyl)oxy-4-carbamoyl-isothiazol-5-yl]carbamoylamino]-3-hydroxy-butanoyl]pipecolinic acid Formula: C22H24BrF2N5O7S MolecularWeight: 620.421066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)CC(CNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N)O

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)CC(CNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N)O

InChI

InChI=1S/C22H24BrF2N5O7S/c23-10-5-13(24)12(14(25)6-10)9-37-19-17(18(26)33)20(38-29-19)28-22(36)27-8-11(31)7-16(32)30-4-2-1-3-15(30)21(34)35/h5-6,11,15,31H,1-4,7-9H2,(H2,26,33)(H,34,35)(H2,27,28,36)