(6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-(4-iodophenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonyl-azanium

Systemtic Name: (6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-(4-iodophenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonyl-azanium Openeye Name: (5-amino-1-carboxy-pentyl)-benzyloxycarbonyl-(4-iodophenyl)sulfonyl-isobutyl-ammonium CAS Name: (6-amino-1-hydroxy-1-oxohexan-2-yl)-(4-iodophenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylammonium IUPAC Name: (6-amino-1-hydroxy-1-oxohexan-2-yl)-(4-iodophenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylazanium Traditional Name: (5-amino-1-carboxy-pentyl)-carbobenzoxy-(4-iodophenyl)sulfonyl-isobutyl-ammonium Formula: C24H32IN2O6S+ MolecularWeight: 603.49015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31IN2O6S/c1-18(2)16-27(22(23(28)29)10-6-7-15-26,24(30)33-17-19-8-4-3-5-9-19)34(31,32)21-13-11-20(25)12-14-21/h3-5,8-9,11-14,18,22H,6-7,10,15-17,26H2,1-2H3/p+1