2-[4-[(1S)-1-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenoxy]propanedioic acid

Systemtic Name: 2-[4-[(1S)-1-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenoxy]propanedioic acid Openeye Name: 2-[4-[(1S)-1-amino-3-hydroxy-3-oxo-propyl]phenoxy]propanedioic acid CAS Name: 2-[4-[(1S)-1-amino-3-hydroxy-3-oxopropyl]phenoxy]propanedioic acid IUPAC Name: 2-[4-[(1S)-1-amino-3-hydroxy-3-oxopropyl]phenoxy]propanedioic acid Traditional Name: 2-[4-[(1S)-1-amino-3-hydroxy-3-keto-propyl]phenoxy]malonic acid Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)N)OC(C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO7/c13-8(5-9(14)15)6-1-3-7(4-2-6)20-10(11(16)17)12(18)19/h1-4,8,10H,5,13H2,(H,14,15)(H,16,17)(H,18,19)/t8-/m0/s1