2-[4,7,10,13-tetrakis(carboxymethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7,10,13-tetrakis(carboxymethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]ethanoic acid Openeye Name: 2-[4,7,10,13-tetrakis(carboxymethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]acetic acid CAS Name: 2-[4,7,10,13-tetrakis(carboxymethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]acetic acid IUPAC Name: 2-[4,7,10,13-tetrakis(carboxymethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]acetic acid Traditional Name: 2-[4,7,10,13-tetrakis(carboxymethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]acetic acid Formula: C20H35N5O10 MolecularWeight: 505.5194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C20H35N5O10/c26-16(27)11-21-1-2-22(12-17(28)29)5-6-24(14-19(32)33)9-10-25(15-20(34)35)8-7-23(4-3-21)13-18(30)31/h1-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)