(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (1-hydroxy-5-methyl-9-oxo-xanthen-3-yl) (2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (1-hydroxy-5-methyl-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-5-methyl-9-oxoxanthen-3-yl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (1-hydroxy-9-keto-5-methyl-xanthen-3-yl) ester Formula: C30H28N2O7 MolecularWeight: 528.55252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H28N2O7/c1-16-8-7-10-20-26(34)25-23(33)13-18(14-24(25)38-27(16)20)37-28(35)22(32-29(36)39-30(2,3)4)12-17-15-31-21-11-6-5-9-19(17)21/h5-11,13-15,22,31,33H,12H2,1-4H3,(H,32,36)/t22-/m1/s1