2-[4,7-bis(carboxymethyl)-10-[3-[2-(carboxymethyloxy)ethanoylamino]-2-oxidanyl-propyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-[3-[2-(carboxymethyloxy)ethanoylamino]-2-oxidanyl-propyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-[3-[[2-(carboxymethyloxy)acetyl]amino]-2-hydroxy-propyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-[3-[[2-(carboxymethyloxy)-1-oxoethyl]amino]-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-[3-[[2-(carboxymethyloxy)acetyl]amino]-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-[3-[[2-(carboxymethyloxy)acetyl]amino]-2-hydroxy-propyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C21H37N5O11 MolecularWeight: 535.54538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N5O11/c27-16(9-22-17(28)14-37-15-21(35)36)10-23-1-3-24(11-18(29)30)5-7-26(13-20(33)34)8-6-25(4-2-23)12-19(31)32/h16,27H,1-15H2,(H,22,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)