(3R)-3-[[(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)-3-methyl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: (3R)-3-[[(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)-3-methyl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: (3R)-3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolyl)-3-methyl-butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: (3R)-3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolinyl)-3-methyl-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: (3R)-3-[[(2S)-2-(7-chloro-1-oxoisoquinolin-2-yl)-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: (3R)-3-[[(2S)-2-(7-chloro-1-keto-2-isoquinolyl)-3-methyl-butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C19H20ClFN2O5 MolecularWeight: 410.823903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClFN2O5/c1-10(2)17(18(27)22-14(8-16(25)26)15(24)9-21)23-6-5-11-3-4-12(20)7-13(11)19(23)28/h3-7,10,14,17H,8-9H2,1-2H3,(H,22,27)(H,25,26)/t14-,17+/m1/s1