[(2S)-6-azanyl-1-oxidanylidene-1-phenylmethoxy-hexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonyl-azanium

Systemtic Name: [(2S)-6-azanyl-1-oxidanylidene-1-phenylmethoxy-hexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonyl-azanium Openeye Name: [(1S)-5-amino-1-benzyloxycarbonyl-pentyl]-benzyloxycarbonyl-isobutyl-(p-tolylsulfonyl)ammonium CAS Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylammonium IUPAC Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylazanium Traditional Name: [(1S)-5-amino-1-carbobenzoxy-pentyl]-carbobenzoxy-isobutyl-tosyl-ammonium Formula: C32H41N2O6S+ MolecularWeight: 581.74274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)(C(CCCCN)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)([C@@H](CCCCN)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H41N2O6S/c1-25(2)22-34(32(36)40-24-28-14-8-5-9-15-28,41(37,38)29-19-17-26(3)18-20-29)30(16-10-11-21-33)31(35)39-23-27-12-6-4-7-13-27/h4-9,12-15,17-20,25,30H,10-11,16,21-24,33H2,1-3H3/q+1/t30-,34?/m0/s1