O1-tert-butyl O5-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R,3S)-2-azanyl-3-phenyl-pentanedioate

Systemtic Name: O1-tert-butyl O5-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R,3S)-2-azanyl-3-phenyl-pentanedioate Openeye Name: O1-tert-butyl O5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2R,3S)-2-amino-3-phenyl-pentanedioate CAS Name: (2R,3S)-2-amino-3-phenylpentanedioic acid O1-tert-butyl ester O5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: 1-O-tert-butyl 5-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3S)-2-amino-3-phenylpentanedioate Traditional Name: (2R,3S)-2-amino-3-phenyl-glutaric acid O1-tert-butyl ester O5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H39NO4 MolecularWeight: 417.58146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(C2=CC=CC=C2)C(C(=O)OC(C)(C)C)N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@@H](C2=CC=CC=C2)[C@H](C(=O)OC(C)(C)C)N)C(C)C

InChI

InChI=1S/C25H39NO4/c1-16(2)19-13-12-17(3)14-21(19)29-22(27)15-20(18-10-8-7-9-11-18)23(26)24(28)30-25(4,5)6/h7-11,16-17,19-21,23H,12-15,26H2,1-6H3/t17-,19+,20+,21-,23-/m1/s1