tert-butyl 5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(1-oxidanylideneisoquinolin-2-yl)pentanoyl]amino]pentanoate

Systemtic Name: tert-butyl 5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(1-oxidanylideneisoquinolin-2-yl)pentanoyl]amino]pentanoate Openeye Name: tert-butyl 5-fluoro-4-oxo-3-[[(2S)-2-(1-oxo-2-isoquinolyl)pentanoyl]amino]pentanoate CAS Name: 5-fluoro-4-oxo-3-[[(2S)-1-oxo-2-(1-oxo-2-isoquinolinyl)pentyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-fluoro-4-oxo-3-[[(2S)-2-(1-oxoisoquinolin-2-yl)pentanoyl]amino]pentanoate Traditional Name: 5-fluoro-4-keto-3-[[(2S)-2-(1-keto-2-isoquinolyl)pentanoyl]amino]valeric acid tert-butyl ester Formula: C23H29FN2O5 MolecularWeight: 432.485163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CF)N1C=CC2=CC=CC=C2C1=O

Isomeric SMILES

CCC[C@@H](C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CF)N1C=CC2=CC=CC=C2C1=O

InChI

InChI=1S/C23H29FN2O5/c1-5-8-18(26-12-11-15-9-6-7-10-16(15)22(26)30)21(29)25-17(19(27)14-24)13-20(28)31-23(2,3)4/h6-7,9-12,17-18H,5,8,13-14H2,1-4H3,(H,25,29)/t17?,18-/m0/s1