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

Systemtic Name: (1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (1-hydroxy-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-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-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-xanthen-3-yl) ester Formula: C26H25NO7S MolecularWeight: 495.5442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC(=C2C(=C1)OC3=CC=CC=C3C2=O)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=CC=CC=C3C2=O)O)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H25NO7S/c1-4-16(3)24(27-35(31,32)18-11-9-15(2)10-12-18)26(30)33-17-13-20(28)23-22(14-17)34-21-8-6-5-7-19(21)25(23)29/h5-14,16,24,27-28H,4H2,1-3H3/t16-,24+/m0/s1