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

Systemtic Name: O1-ethyl O5-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S,3S)-2-azanyl-3-phenyl-pentanedioate Openeye Name: O1-ethyl O5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S,3S)-2-amino-3-phenyl-pentanedioate CAS Name: (2S,3S)-2-amino-3-phenylpentanedioic acid O1-ethyl ester O5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: 1-O-ethyl 5-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,3S)-2-amino-3-phenylpentanedioate Traditional Name: (2S,3S)-2-amino-3-phenyl-glutaric acid O1-ethyl ester O5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H35NO4 MolecularWeight: 389.5283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)OC1CC(CCC1C(C)C)C)C2=CC=CC=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO4/c1-5-27-23(26)22(24)19(17-9-7-6-8-10-17)14-21(25)28-20-13-16(4)11-12-18(20)15(2)3/h6-10,15-16,18-20,22H,5,11-14,24H2,1-4H3/t16-,18+,19+,20-,22+/m1/s1