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

Systemtic Name: (6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonyl-azanium Openeye Name: (5-amino-1-carboxy-pentyl)-benzyloxycarbonyl-isobutyl-(p-tolylsulfonyl)ammonium CAS Name: (6-amino-1-hydroxy-1-oxohexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylammonium IUPAC Name: (6-amino-1-hydroxy-1-oxohexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylazanium Traditional Name: (5-amino-1-carboxy-pentyl)-carbobenzoxy-isobutyl-tosyl-ammonium Formula: C25H35N2O6S+ MolecularWeight: 491.6202

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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)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O6S/c1-19(2)17-27(23(24(28)29)11-7-8-16-26,25(30)33-18-21-9-5-4-6-10-21)34(31,32)22-14-12-20(3)13-15-22/h4-6,9-10,12-15,19,23H,7-8,11,16-18,26H2,1-3H3/p+1