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

Systemtic Name: [(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(phenethylcarbamoyl)azanium Openeye Name: [(1S)-5-amino-1-carboxy-pentyl]-isobutyl-(phenethylcarbamoyl)-(p-tolylsulfonyl)ammonium CAS Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-[oxo-(phenethylamino)methyl]ammonium IUPAC Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(phenethylcarbamoyl)azanium Traditional Name: [(1S)-5-amino-1-carboxy-pentyl]-isobutyl-(phenethylcarbamoyl)-tosyl-ammonium Formula: C26H38N3O5S+ MolecularWeight: 504.66202

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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)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)([C@@H](CCCCN)C(=O)O)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C26H37N3O5S/c1-20(2)19-29(24(25(30)31)11-7-8-17-27,35(33,34)23-14-12-21(3)13-15-23)26(32)28-18-16-22-9-5-4-6-10-22/h4-6,9-10,12-15,20,24H,7-8,11,16-19,27H2,1-3H3,(H-,28,30,31,32)/p+1/t24-,29?/m0/s1