2-[7,10-bis(carboxymethyl)-2,5,8,11-tetrakis(hydroxymethyl)-8-morpholin-4-yl-4-(2-oxidanylideneethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[7,10-bis(carboxymethyl)-2,5,8,11-tetrakis(hydroxymethyl)-8-morpholin-4-yl-4-(2-oxidanylideneethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[7,10-bis(carboxymethyl)-2,5,8,11-tetrakis(hydroxymethyl)-8-morpholino-4-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[7,10-bis(carboxymethyl)-2,5,8,11-tetrakis(hydroxymethyl)-8-(4-morpholinyl)-4-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[7,10-bis(carboxymethyl)-2,5,8,11-tetrakis(hydroxymethyl)-8-morpholin-4-yl-4-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[7,10-bis(carboxymethyl)-4-(2-ketoethyl)-2,5,8,11-tetramethylol-8-morpholino-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C24H43N5O12 MolecularWeight: 593.62452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2(CN(C(CN(C(CN(C(CN2CC(=O)O)CO)CC=O)CO)CC(=O)O)CO)CC(=O)O)CO

Isomeric SMILES

C1COCCN1C2(CN(C(CN(C(CN(C(CN2CC(=O)O)CO)CC=O)CO)CC(=O)O)CO)CC(=O)O)CO

InChI

InChI=1S/C24H43N5O12/c30-4-1-25-7-18(13-31)26(10-21(35)36)8-19(14-32)27(11-22(37)38)16-24(17-34,28-2-5-41-6-3-28)29(12-23(39)40)9-20(25)15-33/h4,18-20,31-34H,1-3,5-17H2,(H,35,36)(H,37,38)(H,39,40)