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

Systemtic Name: [(2S)-6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(3-phenylpropanoyl)azanium Openeye Name: [(1S)-5-amino-1-methoxycarbonyl-pentyl]-isobutyl-(3-phenylpropanoyl)-(p-tolylsulfonyl)ammonium CAS Name: [(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(1-oxo-3-phenylpropyl)ammonium IUPAC Name: [(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]-(4-methylphenyl)sulfonyl-(2-methylpropyl)-(3-phenylpropanoyl)azanium Traditional Name: [(1S)-5-amino-1-carbomethoxy-pentyl]-hydrocinnamoyl-isobutyl-tosyl-ammonium Formula: C27H39N2O5S+ MolecularWeight: 503.67396

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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)OC)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)OC)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C27H39N2O5S/c1-21(2)20-29(25(27(31)34-4)12-8-9-19-28,26(30)18-15-23-10-6-5-7-11-23)35(32,33)24-16-13-22(3)14-17-24/h5-7,10-11,13-14,16-17,21,25H,8-9,12,15,18-20,28H2,1-4H3/q+1/t25-,29?/m0/s1