7-[(2S,3R)-3-[[(2S)-2-azanylpentanoyl]amino]-2-methyl-azetidin-1-yl]-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(2S,3R)-3-[[(2S)-2-azanylpentanoyl]amino]-2-methyl-azetidin-1-yl]-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(2S,3R)-3-[[(2S)-2-aminopentanoyl]amino]-2-methyl-azetidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(2S,3R)-3-[[(2S)-2-amino-1-oxopentyl]amino]-2-methyl-1-azetidinyl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(2S,3R)-3-[[(2S)-2-aminopentanoyl]amino]-2-methylazetidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(2S,3R)-3-[[(2S)-2-aminopentanoyl]amino]-2-methyl-azetidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H25F3N4O4 MolecularWeight: 502.48561

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1CN(C1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F)N

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H]1CN([C@H]1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F)N

InChI

InChI=1S/C25H25F3N4O4/c1-3-4-18(29)24(34)30-19-11-31(12(19)2)22-9-21-14(8-17(22)28)23(33)15(25(35)36)10-32(21)20-6-5-13(26)7-16(20)27/h5-10,12,18-19H,3-4,11,29H2,1-2H3,(H,30,34)(H,35,36)/t12-,18-,19+/m0/s1