cyclopropylmethyl-[2,3-dicarboxy-4-[cyclopropylmethyl-[(4-phenoxyphenyl)methyl]-propyl-azaniumyl]carbonyl-cyclobutyl]carbonyl-[(4-phenoxyphenyl)methyl]-propyl-azanium

Systemtic Name: cyclopropylmethyl-[2,3-dicarboxy-4-[cyclopropylmethyl-[(4-phenoxyphenyl)methyl]-propyl-azaniumyl]carbonyl-cyclobutyl]carbonyl-[(4-phenoxyphenyl)methyl]-propyl-azanium Openeye Name: cyclopropylmethyl-[2,3-dicarboxy-4-[cyclopropylmethyl-[(4-phenoxyphenyl)methyl]-propyl-ammonio]carbonyl-cyclobutanecarbonyl]-[(4-phenoxyphenyl)methyl]-propyl-ammonium CAS Name: cyclopropylmethyl-[[2,3-dicarboxy-4-[[cyclopropylmethyl-[(4-phenoxyphenyl)methyl]-propylammonio]-oxomethyl]cyclobutyl]-oxomethyl]-[(4-phenoxyphenyl)methyl]-propylammonium IUPAC Name: cyclopropylmethyl-[2,3-dicarboxy-4-[cyclopropylmethyl-[(4-phenoxyphenyl)methyl]-propylazaniumyl]carbonylcyclobutanecarbonyl]-[(4-phenoxyphenyl)methyl]-propylazanium Traditional Name: cyclopropylmethyl-[2,3-dicarboxy-4-[cyclopropylmethyl-(4-phenoxybenzyl)-propyl-ammonio]carbonyl-cyclobutanecarbonyl]-(4-phenoxybenzyl)-propyl-ammonium Formula: C48H56N2O8+2 MolecularWeight: 788.96684

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC1CC1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)[N+](CCC)(CC5CC5)CC6=CC=C(C=C6)OC7=CC=CC=C7

Isomeric SMILES

CCC[N+](CC1CC1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)[N+](CCC)(CC5CC5)CC6=CC=C(C=C6)OC7=CC=CC=C7

InChI

InChI=1S/C48H54N2O8/c1-3-27-49(29-33-15-16-33,31-35-19-23-39(24-20-35)57-37-11-7-5-8-12-37)45(51)41-42(44(48(55)56)43(41)47(53)54)46(52)50(28-4-2,30-34-17-18-34)32-36-21-25-40(26-22-36)58-38-13-9-6-10-14-38/h5-14,19-26,33-34,41-44H,3-4,15-18,27-32H2,1-2H3/p+2