(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (1-hydroxy-5-methyl-9-oxo-xanthen-3-yl) (2R)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (1-hydroxy-5-methyl-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-5-methyl-9-oxoxanthen-3-yl) (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (1-hydroxy-9-keto-5-methyl-xanthen-3-yl) ester Formula: C27H25NO7 MolecularWeight: 475.4899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)C(C(C)C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)[C@@H](C(C)C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H25NO7/c1-15(2)23(28-27(32)33-14-17-9-5-4-6-10-17)26(31)34-18-12-20(29)22-21(13-18)35-25-16(3)8-7-11-19(25)24(22)30/h4-13,15,23,29H,14H2,1-3H3,(H,28,32)/t23-/m1/s1