(2S)-2-[[2-(4-acetamidophenyl)ethoxy-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: (2S)-2-[[2-(4-acetamidophenyl)ethoxy-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: (2S)-2-[[2-(4-acetamidophenyl)ethoxy-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: (2S)-2-[[2-(4-acetamidophenyl)ethoxy-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: (2S)-2-[[2-(4-acetamidophenyl)ethoxy-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: (2S)-2-[[2-(4-acetamidophenyl)ethoxy-hydroxy-phosphoryl]methyl]glutaric acid Formula: C16H22NO8P MolecularWeight: 387.321541

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CCOP(=O)(CC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CCOP(=O)(C[C@@H](CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C16H22NO8P/c1-11(18)17-14-5-2-12(3-6-14)8-9-25-26(23,24)10-13(16(21)22)4-7-15(19)20/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t13-/m1/s1