[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(3-phenylpropanoyl)azanium

Systemtic Name: [(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(3-phenylpropanoyl)azanium Openeye Name: [(1S)-5-amino-1-carboxy-pentyl]-isobutyl-(3-phenylpropanoyl)-(p-tolylsulfonyl)ammonium CAS Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(1-oxo-3-phenylpropyl)ammonium IUPAC Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(3-phenylpropanoyl)azanium Traditional Name: [(1S)-5-amino-1-carboxy-pentyl]-hydrocinnamoyl-isobutyl-tosyl-ammonium Formula: C26H37N2O5S+ MolecularWeight: 489.64738

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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)CCC2=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)CCC2=CC=CC=C2

InChI

InChI=1S/C26H36N2O5S/c1-20(2)19-28(24(26(30)31)11-7-8-18-27,25(29)17-14-22-9-5-4-6-10-22)34(32,33)23-15-12-21(3)13-16-23/h4-6,9-10,12-13,15-16,20,24H,7-8,11,14,17-19,27H2,1-3H3/p+1/t24-,28?/m0/s1