(3S)-3-[[3-(2,4-dimethyl-6-phosphonooxy-phenyl)-3-methyl-butanoyl]amino]-4-methoxy-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[3-(2,4-dimethyl-6-phosphonooxy-phenyl)-3-methyl-butanoyl]amino]-4-methoxy-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[3-(2,4-dimethyl-6-phosphonooxy-phenyl)-3-methyl-butanoyl]amino]-4-methoxy-4-oxo-butanoic acid CAS Name: (3S)-3-[[3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methyl-1-oxobutyl]amino]-4-methoxy-4-oxobutanoic acid IUPAC Name: (3S)-3-[[3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoyl]amino]-4-methoxy-4-oxobutanoic acid Traditional Name: (3S)-3-[[3-(2,4-dimethyl-6-phosphonooxy-phenyl)-3-methyl-butanoyl]amino]-4-keto-4-methoxy-butyric acid Formula: C18H26NO9P MolecularWeight: 431.374101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OP(=O)(O)O)C(C)(C)CC(=O)NC(CC(=O)O)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OP(=O)(O)O)C(C)(C)CC(=O)N[C@@H](CC(=O)O)C(=O)OC)C

InChI

InChI=1S/C18H26NO9P/c1-10-6-11(2)16(13(7-10)28-29(24,25)26)18(3,4)9-14(20)19-12(8-15(21)22)17(23)27-5/h6-7,12H,8-9H2,1-5H3,(H,19,20)(H,21,22)(H2,24,25,26)/t12-/m0/s1