8-[(3R)-3-[[(2S)-2-azanylpropanoyl]amino]piperidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-[(3R)-3-[[(2S)-2-azanylpropanoyl]amino]piperidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[(3R)-3-[[(2S)-2-aminopropanoyl]amino]-1-piperidyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[(3R)-3-[[(2S)-2-amino-1-oxopropyl]amino]-1-piperidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[(3R)-3-[[(2S)-2-aminopropanoyl]amino]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[(3R)-3-[[(2S)-2-aminopropanoyl]amino]piperidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C22H27FN4O4 MolecularWeight: 430.472583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCC(C4)NC(=O)C(C)N

Isomeric SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC[C@H](C4)NC(=O)[C@H](C)N

InChI

InChI=1S/C22H27FN4O4/c1-11-18-15(13-5-6-13)8-16(22(30)31)21(29)27(18)10-17(23)19(11)26-7-3-4-14(9-26)25-20(28)12(2)24/h8,10,12-14H,3-7,9,24H2,1-2H3,(H,25,28)(H,30,31)/t12-,14+/m0/s1