(phenylmethyl) (2S)-3-(3-ethanoyl-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(3-ethanoyl-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2S)-3-(3-acetyl-4-benzyloxy-phenyl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-(3-acetyl-4-phenylmethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(3-acetyl-4-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-(3-acetyl-4-benzoxy-phenyl)-2-(tert-butoxycarbonylamino)propionic acid benzyl ester Formula: C30H33NO6 MolecularWeight: 503.58612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C30H33NO6/c1-21(32)25-17-24(15-16-27(25)35-19-22-11-7-5-8-12-22)18-26(31-29(34)37-30(2,3)4)28(33)36-20-23-13-9-6-10-14-23/h5-17,26H,18-20H2,1-4H3,(H,31,34)/t26-/m0/s1