[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]-[3-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propanoyl]-bis(4-nitrophenyl)azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]-[3-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propanoyl]-bis(4-nitrophenyl)azanium Openeye Name: [(1S)-1-carboxy-3-methylsulfanyl-propyl]-[3-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]amino]-3-oxo-propanoyl]-bis(4-nitrophenyl)ammonium CAS Name: [(2S)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]-[3-[[(2S)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1,3-dioxopropyl]-bis(4-nitrophenyl)ammonium IUPAC Name: [(2S)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]-[3-[[(2S)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-oxopropanoyl]-bis(4-nitrophenyl)azanium Traditional Name: [(1S)-1-carboxy-3-(methylthio)propyl]-[3-[[(1S)-1-carboxy-3-(methylthio)propyl]amino]-3-keto-propanoyl]-bis(4-nitrophenyl)ammonium Formula: C25H29N4O10S2+ MolecularWeight: 609.64856

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CC(=O)[N+](C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=C(C=C2)[N+](=O)[O-])C(CCSC)C(=O)O

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CC(=O)[N+](C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C25H28N4O10S2/c1-40-13-11-20(24(32)33)26-22(30)15-23(31)29(21(25(34)35)12-14-41-2,18-7-3-16(4-8-18)27(36)37)19-9-5-17(6-10-19)28(38)39/h3-10,20-21H,11-15H2,1-2H3,(H2-,26,30,32,33,34,35)/p+1/t20-,21-/m0/s1