(2S)-2-[[(2-carboxy-4-phenyl-butoxy)-oxidanyl-phosphoryl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2-carboxy-4-phenyl-butoxy)-oxidanyl-phosphoryl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2-carboxy-4-phenyl-butoxy)-hydroxy-phosphoryl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2-carboxy-4-phenylbutoxy)-hydroxyphosphoryl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2-carboxy-4-phenylbutoxy)-hydroxyphosphoryl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2-carboxy-4-phenyl-butoxy)-hydroxy-phosphoryl]amino]glutaric acid Formula: C16H22NO9P MolecularWeight: 403.320941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(COP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O

InChI

InChI=1S/C16H22NO9P/c18-14(19)9-8-13(16(22)23)17-27(24,25)26-10-12(15(20)21)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,18,19)(H,20,21)(H,22,23)(H2,17,24,25)/t12?,13-/m0/s1