propyl 3-[[(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoate

Systemtic Name: propyl 3-[[(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoate Openeye Name: propyl 3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolyl)butanoyl]amino]-5-fluoro-4-oxo-pentanoate CAS Name: 3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolinyl)-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid propyl ester IUPAC Name: propyl 3-[[(2S)-2-(7-chloro-1-oxoisoquinolin-2-yl)butanoyl]amino]-5-fluoro-4-oxopentanoate Traditional Name: 3-[[(2S)-2-(7-chloro-1-keto-2-isoquinolyl)butanoyl]amino]-5-fluoro-4-keto-valeric acid propyl ester Formula: C21H24ClFN2O5 MolecularWeight: 438.877063

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC(C(=O)CF)NC(=O)C(CC)N1C=CC2=C(C1=O)C=C(C=C2)Cl

Isomeric SMILES

CCCOC(=O)CC(C(=O)CF)NC(=O)[C@H](CC)N1C=CC2=C(C1=O)C=C(C=C2)Cl

InChI

InChI=1S/C21H24ClFN2O5/c1-3-9-30-19(27)11-16(18(26)12-23)24-20(28)17(4-2)25-8-7-13-5-6-14(22)10-15(13)21(25)29/h5-8,10,16-17H,3-4,9,11-12H2,1-2H3,(H,24,28)/t16?,17-/m0/s1