(6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (6-chloro-1-hydroxy-9-oxo-xanthen-3-yl) (2R)-2-(tert-butoxycarbonylamino)-3-methyl-butanoate CAS Name: (2R)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (6-chloro-1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (6-chloro-1-hydroxy-9-oxoxanthen-3-yl) (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-methyl-butyric acid (6-chloro-1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C23H24ClNO7 MolecularWeight: 461.89216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3)Cl)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@H](C(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3)Cl)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H24ClNO7/c1-11(2)19(25-22(29)32-23(3,4)5)21(28)30-13-9-15(26)18-17(10-13)31-16-8-12(24)6-7-14(16)20(18)27/h6-11,19,26H,1-5H3,(H,25,29)/t19-/m1/s1