(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoate

Systemtic Name: (5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoate Openeye Name: (1-hydroxy-5-methyl-9-oxo-xanthen-3-yl) (2S)-2-(tert-butoxycarbonylamino)-2-phenyl-acetate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylacetic acid (1-hydroxy-5-methyl-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-5-methyl-9-oxoxanthen-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-2-phenyl-acetic 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(C4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO7/c1-15-9-8-12-18-23(30)21-19(29)13-17(14-20(21)34-24(15)18)33-25(31)22(16-10-6-5-7-11-16)28-26(32)35-27(2,3)4/h5-14,22,29H,1-4H3,(H,28,32)/t22-/m0/s1