2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxidanylidene-2-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methylamino]ethyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxidanylidene-2-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methylamino]ethyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-[[3,4,5-tris[2-[2-(2-tert-butoxyethoxy)ethoxy]ethoxy]phenyl]methylamino]ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methylamino]ethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methylamino]ethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-keto-2-[[3,4,5-tris[2-[2-(2-tert-butoxyethoxy)ethoxy]ethoxy]benzyl]amino]ethyl]amino]ethyl]amino]acetic acid Formula: C51H90N4O21 MolecularWeight: 1095.2745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCCOCCOCCOC1=CC(=CC(=C1OCCOCCOCCOC(C)(C)C)OCCOCCOCCOC(C)(C)C)CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)(C)OCCOCCOCCOC1=CC(=CC(=C1OCCOCCOCCOC(C)(C)C)OCCOCCOCCOC(C)(C)C)CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C51H90N4O21/c1-49(2,3)74-29-23-68-17-14-65-20-26-71-41-32-40(34-52-43(56)35-54(37-45(59)60)12-10-53(36-44(57)58)11-13-55(38-46(61)62)39-47(63)64)33-42(72-27-21-66-15-18-69-24-30-75-50(4,5)6)48(41)73-28-22-67-16-19-70-25-31-76-51(7,8)9/h32-33H,10-31,34-39H2,1-9H3,(H,52,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)