3-[(3-ethoxy-2-methyl-3-oxidanylidene-propyl)-oxidanyl-phosphoryl]-3-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[(3-ethoxy-2-methyl-3-oxidanylidene-propyl)-oxidanyl-phosphoryl]-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-3-[(3-ethoxy-2-methyl-3-oxo-propyl)-hydroxy-phosphoryl]propanoic acid CAS Name: 3-[(3-ethoxy-2-methyl-3-oxopropyl)-hydroxyphosphoryl]-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[(3-ethoxy-2-methyl-3-oxopropyl)-hydroxyphosphoryl]-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-3-[(3-ethoxy-3-keto-2-methyl-propyl)-hydroxy-phosphoryl]propionic acid Formula: C17H24NO8P MolecularWeight: 401.348121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CP(=O)(C(CC(=O)O)NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CCOC(=O)C(C)CP(=O)(C(CC(=O)O)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C17H24NO8P/c1-3-25-16(21)12(2)11-27(23,24)14(9-15(19)20)18-17(22)26-10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,22)(H,19,20)(H,23,24)