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

Systemtic Name: (5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (1-hydroxy-5-methyl-9-oxo-xanthen-3-yl) (2R,3S)-3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: (2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (1-hydroxy-5-methyl-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-5-methyl-9-oxoxanthen-3-yl) (2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-(tosylamino)valeric acid (1-hydroxy-9-keto-5-methyl-xanthen-3-yl) ester Formula: C27H27NO7S MolecularWeight: 509.57078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC=C3C)O)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC=C3C)O)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H27NO7S/c1-5-16(3)24(28-36(32,33)19-11-9-15(2)10-12-19)27(31)34-18-13-21(29)23-22(14-18)35-26-17(4)7-6-8-20(26)25(23)30/h6-14,16,24,28-29H,5H2,1-4H3/t16-,24+/m0/s1