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

Systemtic Name: propan-2-yl 3-[[(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H24ClFN2O5 MolecularWeight: 438.877063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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