2-[[(2S)-4-methylsulfanyl-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]butanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-4-methylsulfanyl-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]butanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-4-methylsulfanyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]acetate CAS Name: 2-[[(2S)-4-(methylthio)-1-oxo-2-[[oxo-(9-oxo-4-fluorenyl)methyl]amino]butyl]amino]acetate IUPAC Name: 2-[[(2S)-4-methylsulfanyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[(9-ketofluorene-4-carbonyl)amino]-4-(methylthio)butanoyl]amino]acetate Formula: C21H19N2O5S- MolecularWeight: 411.45096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)[O-])NC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O

Isomeric SMILES

CSCC[C@@H](C(=O)NCC(=O)[O-])NC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5S/c1-29-10-9-16(21(28)22-11-17(24)25)23-20(27)15-8-4-7-14-18(15)12-5-2-3-6-13(12)19(14)26/h2-8,16H,9-11H2,1H3,(H,22,28)(H,23,27)(H,24,25)/p-1/t16-/m0/s1