[(1S,3S,4R)-7,7-dimethyl-4-(phenylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl] (3S)-5-phenyl-3-[(phenylmethyl)amino]pentanoate

Systemtic Name: [(1S,3S,4R)-7,7-dimethyl-4-(phenylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl] (3S)-5-phenyl-3-[(phenylmethyl)amino]pentanoate Openeye Name: [(1R,2S,4S)-1-(benzenesulfonylmethyl)-7,7-dimethyl-norbornan-2-yl] (3S)-3-(benzylamino)-5-phenyl-pentanoate CAS Name: (3S)-5-phenyl-3-[(phenylmethyl)amino]pentanoic acid [(1S,3S,4R)-4-(benzenesulfonylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] ester IUPAC Name: [(1S,3S,4R)-4-(benzenesulfonylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] (3S)-3-(benzylamino)-5-phenylpentanoate Traditional Name: (3S)-3-(benzylamino)-5-phenyl-valeric acid [(1R,2S,4S)-1-(besylmethyl)-7,7-dimethyl-norbornan-2-yl] ester Formula: C34H41NO4S MolecularWeight: 559.75864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2)OC(=O)CC(CCC3=CC=CC=C3)NCC4=CC=CC=C4)CS(=O)(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1([C@H]2CC[C@@]1([C@H](C2)OC(=O)C[C@H](CCC3=CC=CC=C3)NCC4=CC=CC=C4)CS(=O)(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C34H41NO4S/c1-33(2)28-20-21-34(33,25-40(37,38)30-16-10-5-11-17-30)31(22-28)39-32(36)23-29(19-18-26-12-6-3-7-13-26)35-24-27-14-8-4-9-15-27/h3-17,28-29,31,35H,18-25H2,1-2H3/t28-,29-,31-,34-/m0/s1