(phenylmethyl) (2S)-2-azanyl-3-[2,6-dimethyl-4-(2-methyl-4-phenyl-butan-2-yl)oxycarbonyloxy-phenyl]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-azanyl-3-[2,6-dimethyl-4-(2-methyl-4-phenyl-butan-2-yl)oxycarbonyloxy-phenyl]propanoate Openeye Name: benzyl (2S)-2-amino-3-[4-(1,1-dimethyl-3-phenyl-propoxy)carbonyloxy-2,6-dimethyl-phenyl]propanoate CAS Name: (2S)-2-amino-3-[2,6-dimethyl-4-[(2-methyl-4-phenylbutan-2-yl)oxy-oxomethoxy]phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-amino-3-[2,6-dimethyl-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonyloxyphenyl]propanoate Traditional Name: (2S)-2-amino-3-[4-(1,1-dimethyl-3-phenyl-propoxy)carbonyloxy-2,6-dimethyl-phenyl]propionic acid benzyl ester Formula: C30H35NO5 MolecularWeight: 489.6026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)OCC2=CC=CC=C2)N)C)OC(=O)OC(C)(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N)C)OC(=O)OC(C)(C)CCC3=CC=CC=C3

InChI

InChI=1S/C30H35NO5/c1-21-17-25(35-29(33)36-30(3,4)16-15-23-11-7-5-8-12-23)18-22(2)26(21)19-27(31)28(32)34-20-24-13-9-6-10-14-24/h5-14,17-18,27H,15-16,19-20,31H2,1-4H3/t27-/m0/s1