2-[1-[12-[12-[4-(carboxymethyloxy)-2-methyl-3-oxamoyl-indol-1-yl]dodecyl-(phenylmethyl)amino]dodecyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[12-[12-[4-(carboxymethyloxy)-2-methyl-3-oxamoyl-indol-1-yl]dodecyl-(phenylmethyl)amino]dodecyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-[12-[benzyl-[12-[4-(carboxymethyloxy)-2-methyl-3-oxamoyl-indol-1-yl]dodecyl]amino]dodecyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[1-[12-[12-[4-(carboxymethyloxy)-2-methyl-3-oxamoyl-1-indolyl]dodecyl-(phenylmethyl)amino]dodecyl]-2-methyl-3-oxamoyl-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-[12-[benzyl-[12-[4-(carboxymethyloxy)-2-methyl-3-oxamoylindol-1-yl]dodecyl]amino]dodecyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid Traditional Name: 2-[1-[12-[benzyl-[12-[4-(carboxymethyloxy)-2-methyl-3-oxamoyl-indol-1-yl]dodecyl]amino]dodecyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyacetic acid Formula: C57H77N5O10 MolecularWeight: 992.24878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCCCCCCCCCCCN(CCCCCCCCCCCCN3C(=C(C4=C3C=CC=C4OCC(=O)O)C(=O)C(=O)N)C)CC5=CC=CC=C5)C=CC=C2OCC(=O)O)C(=O)C(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CCCCCCCCCCCCN(CCCCCCCCCCCCN3C(=C(C4=C3C=CC=C4OCC(=O)O)C(=O)C(=O)N)C)CC5=CC=CC=C5)C=CC=C2OCC(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C57H77N5O10/c1-41-50(54(67)56(58)69)52-44(30-26-32-46(52)71-39-48(63)64)61(41)36-24-17-13-9-5-3-7-11-15-22-34-60(38-43-28-20-19-21-29-43)35-23-16-12-8-4-6-10-14-18-25-37-62-42(2)51(55(68)57(59)70)53-45(62)31-27-33-47(53)72-40-49(65)66/h19-21,26-33H,3-18,22-25,34-40H2,1-2H3,(H2,58,69)(H2,59,70)(H,63,64)(H,65,66)