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3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; 2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-1-phenyl-indol-5-yl]oxyethanoyloxy]ethyl-diethyl-azanium

3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; 2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-1-phenyl-indol-5-yl]oxyethanoyloxy]ethyl-diethyl-azanium

Systemtic Name:3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; 2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-1-phenyl-indol-5-yl]oxyethanoyloxy]ethyl-diethyl-azanium
Openeye Name:3-carboxy-3,5-dihydroxy-5-oxo-pentanoate; 2-[2-[3-[2-(diethylammonio)ethoxycarbonyl]-2-methyl-1-phenyl-indol-5-yl]oxyacetyl]oxyethyl-diethyl-ammonium
CAS Name:3-carboxy-3,5-dihydroxy-5-oxopentanoate; 2-[[5-[2-[2-(diethylammonio)ethoxy]-2-oxoethoxy]-2-methyl-1-phenyl-3-indolyl]-oxomethoxy]ethyl-diethylammonium
IUPAC Name:3-carboxy-3,5-dihydroxy-5-oxopentanoate; 2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-1-phenylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium
Traditional Name:3-carboxy-3,5-dihydroxy-5-keto-valerate; 2-[2-[3-[2-(diethylammonio)ethoxycarbonyl]-2-methyl-1-phenyl-indol-5-yl]oxyacetyl]oxyethyl-diethyl-ammonium
Formula: C42H57N3O19
MolecularWeight: 907.91068
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)COC1=CC2=C(C=C1)N(C(=C2C(=O)OCC[NH+](CC)CC)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O


Isomeric SMILES

CC[NH+](CC)CCOC(=O)COC1=CC2=C(C=C1)N(C(=C2C(=O)OCC[NH+](CC)CC)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O


InChI

InChI=1S/C30H41N3O5.2C6H8O7/c1-6-31(7-2)17-19-36-28(34)22-38-25-15-16-27-26(21-25)29(30(35)37-20-18-32(8-3)9-4)23(5)33(27)24-13-11-10-12-14-24;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h10-16,21H,6-9,17-20,22H2,1-5H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


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