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

Systemtic Name: (2S)-2-azanyl-3-[2,6-dimethyl-4-(2-methyl-4-phenyl-butan-2-yl)oxycarbonyloxy-phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(1,1-dimethyl-3-phenyl-propoxy)carbonyloxy-2,6-dimethyl-phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[2,6-dimethyl-4-[(2-methyl-4-phenylbutan-2-yl)oxy-oxomethoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[2,6-dimethyl-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonyloxyphenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-(1,1-dimethyl-3-phenyl-propoxy)carbonyloxy-2,6-dimethyl-phenyl]propionic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)O)N)C)OC(=O)OC(C)(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)O)N)C)OC(=O)OC(C)(C)CCC2=CC=CC=C2

InChI

InChI=1S/C23H29NO5/c1-15-12-18(13-16(2)19(15)14-20(24)21(25)26)28-22(27)29-23(3,4)11-10-17-8-6-5-7-9-17/h5-9,12-13,20H,10-11,14,24H2,1-4H3,(H,25,26)/t20-/m0/s1