2-[2-[2-[2-[2,3-bis(pentacosa-10,12-diynoylamino)propanoylamino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[2-[2-[2-[2,3-bis(pentacosa-10,12-diynoylamino)propanoylamino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[2-[2-[2-[2,3-bis(pentacosa-10,12-diynoylamino)propanoylamino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[carboxymethyl-[2-[2-[2-[[1-oxo-2,3-bis(1-oxopentacosa-10,12-diynylamino)propyl]amino]ethoxy]ethoxy]ethyl]amino]acetic acid IUPAC Name: 2-[2-[2-[2-[2,3-bis(pentacosa-10,12-diynoylamino)propanoylamino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[2-[2-[2-[2,3-bis(pentacosa-10,12-diynoylamino)propanoylamino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid Formula: C63H106N4O9 MolecularWeight: 1063.53714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCC(C(=O)NCCOCCOCCN(CC(=O)O)CC(=O)O)NC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCC(C(=O)NCCOCCOCCN(CC(=O)O)CC(=O)O)NC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC

InChI

InChI=1S/C63H106N4O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-59(68)65-55-58(63(74)64-49-51-75-53-54-76-52-50-67(56-61(70)71)57-62(72)73)66-60(69)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h58H,3-24,33-57H2,1-2H3,(H,64,74)(H,65,68)(H,66,69)(H,70,71)(H,72,73)