4-methylsulfanyl-2-[2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[2-[(9-oxofluorene-4-carbonyl)amino]propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[[oxo-(9-oxo-4-fluorenyl)methyl]amino]propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[2-[(9-oxofluorene-4-carbonyl)amino]propanoylamino]butanoic acid Traditional Name: 2-[2-[(9-ketofluorene-4-carbonyl)amino]propanoylamino]-4-(methylthio)butyric acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N2O5S/c1-12(20(26)24-17(22(28)29)10-11-30-2)23-21(27)16-9-5-8-15-18(16)13-6-3-4-7-14(13)19(15)25/h3-9,12,17H,10-11H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)