[(2S,3R,4S)-2-azanyl-1-cyclohexyl-6-methyl-4-oxidanyl-heptan-3-yl] 6-phenylhexanoate

Systemtic Name: [(2S,3R,4S)-2-azanyl-1-cyclohexyl-6-methyl-4-oxidanyl-heptan-3-yl] 6-phenylhexanoate Openeye Name: [(1R,2S)-1-[(1S)-1-amino-2-cyclohexyl-ethyl]-2-hydroxy-4-methyl-pentyl] 6-phenylhexanoate CAS Name: 6-phenylhexanoic acid [(2S,3R,4S)-2-amino-1-cyclohexyl-4-hydroxy-6-methylheptan-3-yl] ester IUPAC Name: [(2S,3R,4S)-2-amino-1-cyclohexyl-4-hydroxy-6-methylheptan-3-yl] 6-phenylhexanoate Traditional Name: 6-phenylhexanoic acid [(1R,2S)-1-[(1S)-1-amino-2-cyclohexyl-ethyl]-2-hydroxy-4-methyl-pentyl] ester Formula: C26H43NO3 MolecularWeight: 417.62452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)N)OC(=O)CCCCCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)OC(=O)CCCCCC2=CC=CC=C2)O

InChI

InChI=1S/C26H43NO3/c1-20(2)18-24(28)26(23(27)19-22-15-9-4-10-16-22)30-25(29)17-11-5-8-14-21-12-6-3-7-13-21/h3,6-7,12-13,20,22-24,26,28H,4-5,8-11,14-19,27H2,1-2H3/t23-,24-,26+/m0/s1