2-[4,10-bis(carboxymethyl)-7-[3-[2-(2-hydroxyethyloxy)ethylamino]-3-oxidanylidene-prop-1-en-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,10-bis(carboxymethyl)-7-[3-[2-(2-hydroxyethyloxy)ethylamino]-3-oxidanylidene-prop-1-en-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,10-bis(carboxymethyl)-7-[1-[2-(2-hydroxyethoxy)ethylcarbamoyl]vinyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,10-bis(carboxymethyl)-7-[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxoprop-1-en-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,10-bis(carboxymethyl)-7-[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxoprop-1-en-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,10-bis(carboxymethyl)-7-[1-[2-(2-hydroxyethoxy)ethylcarbamoyl]vinyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C21H37N5O9 MolecularWeight: 503.54658

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NCCOCCO)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C=C(C(=O)NCCOCCO)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C21H37N5O9/c1-17(21(34)22-2-12-35-13-11-27)26-9-7-24(15-19(30)31)5-3-23(14-18(28)29)4-6-25(8-10-26)16-20(32)33/h27H,1-16H2,(H,22,34)(H,28,29)(H,30,31)(H,32,33)