(2S)-3-(4-oxidanylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(4-oxidanylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propionic acid Formula: C17H17NO5 MolecularWeight: 333.253458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[14C@@H]([14CH2][14C]2=[14CH][14CH]=[14C]([14CH]=[14CH]2)O)[14C](=O)O

InChI

InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1/i6+2,7+2,8+2,9+2,10+2,12+2,14+2,15+2,16+2