[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-(9H-xanthen-9-ylcarbonyl)azanium

Systemtic Name: [(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-(9H-xanthen-9-ylcarbonyl)azanium Openeye Name: [(1S)-5-amino-1-carboxy-pentyl]-isobutyl-(4-nitrophenyl)sulfonyl-(9H-xanthene-9-carbonyl)ammonium CAS Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-[oxo(9H-xanthen-9-yl)methyl]ammonium IUPAC Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-(9H-xanthene-9-carbonyl)azanium Traditional Name: [(1S)-5-amino-1-carboxy-pentyl]-isobutyl-nosyl-(9H-xanthene-9-carbonyl)ammonium Formula: C30H34N3O8S+ MolecularWeight: 596.67126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+](C(CCCCN)C(=O)O)(C(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[N+]([C@@H](CCCCN)C(=O)O)(C(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H33N3O8S/c1-20(2)19-33(25(30(35)36)11-7-8-18-31,42(39,40)22-16-14-21(15-17-22)32(37)38)29(34)28-23-9-3-5-12-26(23)41-27-13-6-4-10-24(27)28/h3-6,9-10,12-17,20,25,28H,7-8,11,18-19,31H2,1-2H3/p+1/t25-,33?/m0/s1