(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (1-hydroxy-5-methyl-9-oxo-xanthen-3-yl) (2R)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid (1-hydroxy-5-methyl-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-5-methyl-9-oxoxanthen-3-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (1-hydroxy-9-keto-5-methyl-xanthen-3-yl) ester Formula: C24H27NO7S MolecularWeight: 473.53868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)C(CCSC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H27NO7S/c1-13-7-6-8-15-20(27)19-17(26)11-14(12-18(19)31-21(13)15)30-22(28)16(9-10-33-5)25-23(29)32-24(2,3)4/h6-8,11-12,16,26H,9-10H2,1-5H3,(H,25,29)/t16-/m1/s1