2-[[6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[6-[3-[dimethylamino(oxo)methyl]-5-methoxyphenoxy]-2-methylsulfonyl-5-nitro-4-pyrimidinyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[6-[3-(dimethylcarbamoyl)-5-methoxyphenoxy]-2-methylsulfonyl-5-nitropyrimidin-4-yl]amino]-3-methylpentanoic acid Traditional Name: 2-[[6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-2-mesyl-5-nitro-pyrimidin-4-yl]amino]-3-methyl-valeric acid Formula: C21H27N5O9S MolecularWeight: 525.53218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC1=C(C(=NC(=N1)S(=O)(=O)C)OC2=CC(=CC(=C2)C(=O)N(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(C(=O)O)NC1=C(C(=NC(=N1)S(=O)(=O)C)OC2=CC(=CC(=C2)C(=O)N(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O9S/c1-7-11(2)15(20(28)29)22-17-16(26(30)31)18(24-21(23-17)36(6,32)33)35-14-9-12(19(27)25(3)4)8-13(10-14)34-5/h8-11,15H,7H2,1-6H3,(H,28,29)(H,22,23,24)