(2S)-3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoic acid

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c22-15-8-6-13(7-9-15)10-16(18(24)25)21-17(23)11-20-19(26)27-12-14-4-2-1-3-5-14/h1-9,16,22H,10-12H2,(H,20,26)(H,21,23)(H,24,25)/t16-/m0/s1