5-azanyl-1-cyclopropyl-7-[(3S,4S)-3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-7-[(3S,4S)-3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[(3S,4S)-3-(tert-butoxycarbonylamino)-4-ethyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-7-[(3S,4S)-3-ethyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-7-[(3S,4S)-3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[(3S,4S)-3-(tert-butoxycarbonylamino)-4-ethyl-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C25H33FN4O5 MolecularWeight: 488.551723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC1NC(=O)OC(C)(C)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)C

Isomeric SMILES

CC[C@H]1CN(C[C@H]1NC(=O)OC(C)(C)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)C

InChI

InChI=1S/C25H33FN4O5/c1-6-13-9-29(11-16(13)28-24(34)35-25(3,4)5)21-12(2)20-17(19(27)18(21)26)22(31)15(23(32)33)10-30(20)14-7-8-14/h10,13-14,16H,6-9,11,27H2,1-5H3,(H,28,34)(H,32,33)/t13-,16+/m0/s1