2-[[9,9-dimethyl-5-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]xanthen-4-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[9,9-dimethyl-5-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]xanthen-4-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[5-[(1-carboxy-2-methyl-propyl)carbamoyl]-9,9-dimethyl-xanthene-4-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[5-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]-9,9-dimethyl-4-xanthenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[5-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)carbamoyl]-9,9-dimethylxanthene-4-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[5-[(1-carboxy-2-methyl-propyl)carbamoyl]-9,9-dimethyl-xanthene-4-carbonyl]amino]-3-methyl-butyric acid Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C2C(=CC=C1)C(C3=CC=CC(=C3O2)C(=O)NC(C(C)C)C(=O)O)(C)C

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=C2C(=CC=C1)C(C3=CC=CC(=C3O2)C(=O)NC(C(C)C)C(=O)O)(C)C

InChI

InChI=1S/C27H32N2O7/c1-13(2)19(25(32)33)28-23(30)15-9-7-11-17-21(15)36-22-16(10-8-12-18(22)27(17,5)6)24(31)29-20(14(3)4)26(34)35/h7-14,19-20H,1-6H3,(H,28,30)(H,29,31)(H,32,33)(H,34,35)