4-[[(2R)-3-(2-methylquinolin-4-yl)sulfanyl-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2R)-3-(2-methylquinolin-4-yl)sulfanyl-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(1R)-1-[(2-methyl-4-quinolyl)sulfanylmethyl]-2-oxido-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2R)-3-[(2-methyl-4-quinolinyl)thio]-1-oxido-1-oxopropan-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2R)-3-(2-methylquinolin-4-yl)sulfanyl-1-oxido-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(1R)-2-keto-1-[[(2-methyl-4-quinolyl)thio]methyl]-2-oxido-ethyl]amino]butyrate Formula: C17H16N2O5S-2 MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SCC(C(=O)[O-])NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SC[C@@H](C(=O)[O-])NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c1-10-8-14(11-4-2-3-5-12(11)18-10)25-9-13(17(23)24)19-15(20)6-7-16(21)22/h2-5,8,13H,6-7,9H2,1H3,(H,19,20)(H,21,22)(H,23,24)/p-2/t13-/m0/s1