2-fluoranyl-N-[2-[[(2S)-4-methyl-1-oxidanylidene-1-(3-oxidanylpropylamino)pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-nitro-benzamide

Systemtic Name: 2-fluoranyl-N-[2-[[(2S)-4-methyl-1-oxidanylidene-1-(3-oxidanylpropylamino)pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-nitro-benzamide Openeye Name: 2-fluoro-N-[2-[[(1S)-1-(3-hydroxypropylcarbamoyl)-3-methyl-butyl]amino]-2-oxo-ethyl]-5-nitro-benzamide CAS Name: 2-fluoro-N-[2-[[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-5-nitrobenzamide IUPAC Name: 2-fluoro-N-[2-[[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-5-nitrobenzamide Traditional Name: 2-fluoro-N-[2-[[(1S)-1-(3-hydroxypropylcarbamoyl)-3-methyl-butyl]amino]-2-keto-ethyl]-5-nitro-benzamide Formula: C18H25FN4O6 MolecularWeight: 412.412703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCO)NC(=O)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCO)NC(=O)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F

InChI

InChI=1S/C18H25FN4O6/c1-11(2)8-15(18(27)20-6-3-7-24)22-16(25)10-21-17(26)13-9-12(23(28)29)4-5-14(13)19/h4-5,9,11,15,24H,3,6-8,10H2,1-2H3,(H,20,27)(H,21,26)(H,22,25)/t15-/m0/s1