4-azaniumyl-5-[[3-(1H-indol-3-ylmethylcarbamothioylsulfanyl)-1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 4-azaniumyl-5-[[3-(1H-indol-3-ylmethylcarbamothioylsulfanyl)-1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 4-azaniumyl-5-[[1-(1H-indol-3-ylmethylcarbamothioylsulfanylmethyl)-2-[(2-oxido-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 4-ammonio-5-[[3-[[(1H-indol-3-ylmethylamino)-sulfanylidenemethyl]thio]-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate IUPAC Name: 4-azaniumyl-5-[[3-(1H-indol-3-ylmethylcarbamothioylsulfanyl)-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: 4-ammonio-5-[[1-[(1H-indol-3-ylmethylthiocarbamoylthio)methyl]-2-keto-2-[(2-keto-2-oxido-ethyl)amino]ethyl]amino]-5-keto-valerate Formula: C20H24N5O6S2- MolecularWeight: 494.56446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CNC(=S)SCC(C(=O)NCC(=O)[O-])NC(=O)C(CCC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CNC(=S)SCC(C(=O)NCC(=O)[O-])NC(=O)C(CCC(=O)[O-])[NH3+]

InChI

InChI=1S/C20H25N5O6S2/c21-13(5-6-16(26)27)18(30)25-15(19(31)23-9-17(28)29)10-33-20(32)24-8-11-7-22-14-4-2-1-3-12(11)14/h1-4,7,13,15,22H,5-6,8-10,21H2,(H,23,31)(H,24,32)(H,25,30)(H,26,27)(H,28,29)/p-1