2-[[6-[[bis(carboxymethyl)amino]methyl]-4-[2-[2-[2-[2,3-bis(pentacosa-10,12-diynoylamino)propanoylamino]ethoxy]ethoxy]ethoxy]pyridin-2-yl]methyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[6-[[bis(carboxymethyl)amino]methyl]-4-[2-[2-[2-[2,3-bis(pentacosa-10,12-diynoylamino)propanoylamino]ethoxy]ethoxy]ethoxy]pyridin-2-yl]methyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[6-[[bis(carboxymethyl)amino]methyl]-4-[2-[2-[2-[2,3-bis(pentacosa-10,12-diynoylamino)propanoylamino]ethoxy]ethoxy]ethoxy]-2-pyridyl]methyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[6-[[bis(carboxymethyl)amino]methyl]-4-[2-[2-[2-[[1-oxo-2,3-bis(1-oxopentacosa-10,12-diynylamino)propyl]amino]ethoxy]ethoxy]ethoxy]-2-pyridinyl]methyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[6-[[bis(carboxymethyl)amino]methyl]-4-[2-[2-[2-[2,3-bis(pentacosa-10,12-diynoylamino)propanoylamino]ethoxy]ethoxy]ethoxy]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[6-[[bis(carboxymethyl)amino]methyl]-4-[2-[2-[2-[2,3-bis(pentacosa-10,12-diynoylamino)propanoylamino]ethoxy]ethoxy]ethoxy]-2-pyridyl]methyl-(carboxymethyl)amino]acetic acid Formula: C74H118N6O14 MolecularWeight: 1315.76052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCC(C(=O)NCCOCCOCCOC1=CC(=NC(=C1)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)NC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCC(C(=O)NCCOCCOCCOC1=CC(=NC(=C1)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)NC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC

InChI

InChI=1S/C74H118N6O14/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-68(81)76-57-67(78-69(82)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)74(91)75-49-50-92-51-52-93-53-54-94-66-55-64(58-79(60-70(83)84)61-71(85)86)77-65(56-66)59-80(62-72(87)88)63-73(89)90/h55-56,67H,3-24,33-54,57-63H2,1-2H3,(H,75,91)(H,76,81)(H,78,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)