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

Systemtic Name: [(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(2-iodanylethanoyl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)azanium Openeye Name: [(1S)-5-amino-1-carboxy-pentyl]-(2-iodoacetyl)-isobutyl-(p-tolylsulfonyl)ammonium CAS Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(2-iodo-1-oxoethyl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)ammonium IUPAC Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(2-iodoacetyl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)azanium Traditional Name: [(1S)-5-amino-1-carboxy-pentyl]-(2-iodoacetyl)-isobutyl-tosyl-ammonium Formula: C19H30IN2O5S+ MolecularWeight: 525.42137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)(C(CCCCN)C(=O)O)C(=O)CI

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)([C@@H](CCCCN)C(=O)O)C(=O)CI

InChI

InChI=1S/C19H29IN2O5S/c1-14(2)13-22(18(23)12-20,17(19(24)25)6-4-5-11-21)28(26,27)16-9-7-15(3)8-10-16/h7-10,14,17H,4-6,11-13,21H2,1-3H3/p+1/t17-,22?/m0/s1