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

Systemtic Name: [(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(2-methylpropyl)-bis[(4-nitrophenyl)sulfonyl]azanium Openeye Name: [(1S)-5-amino-1-carboxy-pentyl]-isobutyl-bis[(4-nitrophenyl)sulfonyl]ammonium CAS Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(2-methylpropyl)-bis[(4-nitrophenyl)sulfonyl]ammonium IUPAC Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(2-methylpropyl)-bis[(4-nitrophenyl)sulfonyl]azanium Traditional Name: [(1S)-5-amino-1-carboxy-pentyl]-isobutyl-dinosyl-ammonium Formula: C22H29N4O10S2+ MolecularWeight: 573.61646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O10S2/c1-16(2)15-26(21(22(27)28)5-3-4-14-23,37(33,34)19-10-6-17(7-11-19)24(29)30)38(35,36)20-12-8-18(9-13-20)25(31)32/h6-13,16,21H,3-5,14-15,23H2,1-2H3/p+1/t21-/m0/s1