(2S)-3-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid CAS Name: (2S)-3-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3-methylol-phenyl)propionic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC(=C(C=C2)O)CO)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC(=C(C=C2)O)CO)C(=O)O

InChI

InChI=1S/C18H19NO6/c20-10-14-8-13(6-7-16(14)21)9-15(17(22)23)19-18(24)25-11-12-4-2-1-3-5-12/h1-8,15,20-21H,9-11H2,(H,19,24)(H,22,23)/t15-/m0/s1