3,7-dimethyloct-6-enyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 3,7-dimethyloct-6-enyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: 3,7-dimethyloct-6-enyl (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid 3,7-dimethyloct-6-enyl ester IUPAC Name: 3,7-dimethyloct-6-enyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid 3,7-dimethyloct-6-enyl ester Formula: C29H36N2O4 MolecularWeight: 476.60714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(CCC=C(C)C)CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H36N2O4/c1-21(2)10-9-11-22(3)16-17-34-28(32)27(18-24-19-30-26-15-8-7-14-25(24)26)31-29(33)35-20-23-12-5-4-6-13-23/h4-8,10,12-15,19,22,27,30H,9,11,16-18,20H2,1-3H3,(H,31,33)/t22?,27-/m0/s1