(4R)-4-azaniumyl-5-oxidanylidene-5-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]amino]pentanoate

Systemtic Name: (4R)-4-azaniumyl-5-oxidanylidene-5-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]amino]pentanoate Openeye Name: (4R)-4-azaniumyl-5-oxo-5-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]pentanoate CAS Name: (4R)-4-ammonio-5-oxo-5-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]amino]pentanoate IUPAC Name: (4R)-4-azaniumyl-5-oxo-5-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]pentanoate Traditional Name: (4R)-4-ammonio-5-keto-5-[[2-keto-4-(trifluoromethyl)chromen-7-yl]amino]valerate Formula: C15H13F3N2O5 MolecularWeight: 358.26933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C(CCC(=O)[O-])[NH3+])OC(=O)C=C2C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)[C@@H](CCC(=O)[O-])[NH3+])OC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C15H13F3N2O5/c16-15(17,18)9-6-13(23)25-11-5-7(1-2-8(9)11)20-14(24)10(19)3-4-12(21)22/h1-2,5-6,10H,3-4,19H2,(H,20,24)(H,21,22)/t10-/m1/s1