3-[[(2S)-2-(6-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[(2S)-2-(6-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-(6-chloro-1-oxo-2-isoquinolyl)butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-2-(6-chloro-1-oxo-2-isoquinolinyl)-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-2-(6-chloro-1-oxoisoquinolin-2-yl)butanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-(6-chloro-1-keto-2-isoquinolyl)butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C18H18ClFN2O5 MolecularWeight: 396.797323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClFN2O5/c1-2-14(17(26)21-13(8-16(24)25)15(23)9-20)22-6-5-10-7-11(19)3-4-12(10)18(22)27/h3-7,13-14H,2,8-9H2,1H3,(H,21,26)(H,24,25)/t13?,14-/m0/s1