[3-(2,4-dimethyl-6-oxidanyl-3-phenylmethoxy-phenyl)-3-methyl-butyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [3-(2,4-dimethyl-6-oxidanyl-3-phenylmethoxy-phenyl)-3-methyl-butyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [3-(3-benzyloxy-6-hydroxy-2,4-dimethyl-phenyl)-3-methyl-butyl] (2S)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [3-(6-hydroxy-2,4-dimethyl-3-phenylmethoxyphenyl)-3-methylbutyl] ester IUPAC Name: [3-(6-hydroxy-2,4-dimethyl-3-phenylmethoxyphenyl)-3-methylbutyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)propionic acid [3-(3-benzoxy-6-hydroxy-2,4-dimethyl-phenyl)-3-methyl-butyl] ester Formula: C28H39NO6 MolecularWeight: 485.61236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OCC2=CC=CC=C2)C)C(C)(C)CCOC(=O)C(C)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C(=C1OCC2=CC=CC=C2)C)C(C)(C)CCOC(=O)[C@H](C)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C28H39NO6/c1-18-16-22(30)23(19(2)24(18)34-17-21-12-10-9-11-13-21)28(7,8)14-15-33-25(31)20(3)29-26(32)35-27(4,5)6/h9-13,16,20,30H,14-15,17H2,1-8H3,(H,29,32)/t20-/m0/s1