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

Systemtic Name: tert-butyl 3-[[(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)-3-methyl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoate Openeye Name: tert-butyl 3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolyl)-3-methyl-butanoyl]amino]-5-fluoro-4-oxo-pentanoate CAS Name: 3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolinyl)-3-methyl-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(2S)-2-(7-chloro-1-oxoisoquinolin-2-yl)-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoate Traditional Name: 3-[[(2S)-2-(7-chloro-1-keto-2-isoquinolyl)-3-methyl-butanoyl]amino]-5-fluoro-4-keto-valeric acid tert-butyl ester Formula: C23H28ClFN2O5 MolecularWeight: 466.930223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClFN2O5/c1-13(2)20(27-9-8-14-6-7-15(24)10-16(14)22(27)31)21(30)26-17(18(28)12-25)11-19(29)32-23(3,4)5/h6-10,13,17,20H,11-12H2,1-5H3,(H,26,30)/t17?,20-/m0/s1