3-[(4S,7S,10S)-10-aminocarbonyl-16-fluoranyl-7-methyl-18-nitro-2,5,8-tris(oxidanylidene)-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]propanoic acid

Systemtic Name: 3-[(4S,7S,10S)-10-aminocarbonyl-16-fluoranyl-7-methyl-18-nitro-2,5,8-tris(oxidanylidene)-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]propanoic acid Openeye Name: 3-[(4S,7S,10S)-10-carbamoyl-16-fluoro-7-methyl-18-nitro-2,5,8-trioxo-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]propanoic acid CAS Name: 3-[(4S,7S,10S)-10-carbamoyl-16-fluoro-7-methyl-18-nitro-2,5,8-trioxo-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]propanoic acid IUPAC Name: 3-[(4S,7S,10S)-10-carbamoyl-16-fluoro-7-methyl-18-nitro-2,5,8-trioxo-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]propanoic acid Traditional Name: 3-[(4S,7S,10S)-10-carbamoyl-16-fluoro-2,5,8-triketo-7-methyl-18-nitro-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]propionic acid Formula: C20H25FN6O8 MolecularWeight: 496.446303

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(CCCNC2=C(C=C(C=C2C(=O)NC(C(=O)N1)CCC(=O)O)[N+](=O)[O-])F)C(=O)N

Isomeric SMILES

C[C@H]1C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CCC(=O)O)[N+](=O)[O-])F)C(=O)N

InChI

InChI=1S/C20H25FN6O8/c1-9-18(31)25-13(17(22)30)3-2-6-23-16-11(7-10(27(34)35)8-12(16)21)19(32)26-14(20(33)24-9)4-5-15(28)29/h7-9,13-14,23H,2-6H2,1H3,(H2,22,30)(H,24,33)(H,25,31)(H,26,32)(H,28,29)/t9-,13-,14-/m0/s1