(1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (1-hydroxy-9-oxo-xanthen-3-yl) (2R)-4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-9-oxoxanthen-3-yl) (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: (2R)-4-methyl-2-(tosylamino)valeric acid (1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C26H25NO7S MolecularWeight: 495.5442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC2=CC(=C3C(=C2)OC4=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(C)C)C(=O)OC2=CC(=C3C(=C2)OC4=CC=CC=C4C3=O)O

InChI

InChI=1S/C26H25NO7S/c1-15(2)12-20(27-35(31,32)18-10-8-16(3)9-11-18)26(30)33-17-13-21(28)24-23(14-17)34-22-7-5-4-6-19(22)25(24)29/h4-11,13-15,20,27-28H,12H2,1-3H3/t20-/m1/s1