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

Systemtic Name: [(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(2-phenylethanethioyl)azanium Openeye Name: [(1S)-5-amino-1-carboxy-pentyl]-isobutyl-(2-phenylethanethioyl)-(p-tolylsulfonyl)ammonium CAS Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(2-phenyl-1-sulfanylideneethyl)ammonium IUPAC Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(2-phenylethanethioyl)azanium Traditional Name: [(1S)-5-amino-1-carboxy-pentyl]-isobutyl-(2-phenylthioacetyl)-tosyl-ammonium Formula: C25H35N2O4S2+ MolecularWeight: 491.6864

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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(=S)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)([C@@H](CCCCN)C(=O)O)C(=S)CC2=CC=CC=C2

InChI

InChI=1S/C25H34N2O4S2/c1-19(2)18-27(23(25(28)29)11-7-8-16-26,24(32)17-21-9-5-4-6-10-21)33(30,31)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/t23-,27?/m0/s1