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

Systemtic Name: (2S)-3-(4-decoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-decoxyphenyl)propanoic acid CAS Name: (2S)-3-(4-decoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-(4-decoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-decoxyphenyl)propionic acid Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H37NO5/c1-2-3-4-5-6-7-8-12-19-32-24-17-15-22(16-18-24)20-25(26(29)30)28-27(31)33-21-23-13-10-9-11-14-23/h9-11,13-18,25H,2-8,12,19-21H2,1H3,(H,28,31)(H,29,30)/t25-/m0/s1