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

Systemtic Name: [(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-(2-phenylethanethioyl)azanium Openeye Name: [(1S)-5-amino-1-carboxy-pentyl]-isobutyl-(4-nitrophenyl)sulfonyl-(2-phenylethanethioyl)ammonium CAS Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-(2-phenyl-1-sulfanylideneethyl)ammonium IUPAC Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-(2-phenylethanethioyl)azanium Traditional Name: [(1S)-5-amino-1-carboxy-pentyl]-isobutyl-nosyl-(2-phenylthioacetyl)ammonium Formula: C24H32N3O6S2+ MolecularWeight: 522.65738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6S2/c1-18(2)17-27(22(24(28)29)10-6-7-15-25,23(34)16-19-8-4-3-5-9-19)35(32,33)21-13-11-20(12-14-21)26(30)31/h3-5,8-9,11-14,18,22H,6-7,10,15-17,25H2,1-2H3/p+1/t22-,27?/m0/s1