methyl (2S)-3-[3-(1-hydroxyethyl)-4-phenylmethoxy-phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[3-(1-hydroxyethyl)-4-phenylmethoxy-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[4-benzyloxy-3-(1-hydroxyethyl)phenyl]propanoate CAS Name: (2S)-3-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-[4-benzoxy-3-(1-hydroxyethyl)phenyl]-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO6/c1-19(29)23-15-22(13-14-25(23)33-17-20-9-5-3-6-10-20)16-24(26(30)32-2)28-27(31)34-18-21-11-7-4-8-12-21/h3-15,19,24,29H,16-18H2,1-2H3,(H,28,31)/t19?,24-/m0/s1