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

Systemtic Name: [(2S)-6-azanyl-1-oxidanylidene-1-phenylmethoxy-hexan-2-yl]-(2-methylpropyl)-phenylmethoxycarbonyl-(phenylsulfonyl)azanium Openeye Name: [(1S)-5-amino-1-benzyloxycarbonyl-pentyl]-(benzenesulfonyl)-benzyloxycarbonyl-isobutyl-ammonium CAS Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-(benzenesulfonyl)-(2-methylpropyl)-phenylmethoxycarbonylammonium IUPAC Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-(benzenesulfonyl)-(2-methylpropyl)-phenylmethoxycarbonylazanium Traditional Name: [(1S)-5-amino-1-carbobenzoxy-pentyl]-besyl-carbobenzoxy-isobutyl-ammonium Formula: C31H39N2O6S+ MolecularWeight: 567.71616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+](C(CCCCN)C(=O)OCC1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[N+]([C@@H](CCCCN)C(=O)OCC1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C31H39N2O6S/c1-25(2)22-33(40(36,37)28-18-10-5-11-19-28,31(35)39-24-27-16-8-4-9-17-27)29(20-12-13-21-32)30(34)38-23-26-14-6-3-7-15-26/h3-11,14-19,25,29H,12-13,20-24,32H2,1-2H3/q+1/t29-,33?/m0/s1