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

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

Systemtic Name:2-[7-[2,3-bis(oxidanyl)propyl]-4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]hexanedioic acid
Openeye Name:2-[4,10-bis(carboxymethyl)-7-(2,3-dihydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]hexanedioic acid
CAS Name:2-[4,10-bis(carboxymethyl)-7-(2,3-dihydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]hexanedioic acid
IUPAC Name:2-[4,10-bis(carboxymethyl)-7-(2,3-dihydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]hexanedioic acid
Traditional Name:2-[4,10-bis(carboxymethyl)-7-glyceryl-1,4,7,10-tetrazacyclododec-1-yl]adipic acid
Formula: C21H38N4O10
MolecularWeight: 506.54722
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(CO)O)CC(=O)O)C(CCCC(=O)O)C(=O)O)CC(=O)O


Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(CO)O)CC(=O)O)C(CCCC(=O)O)C(=O)O)CC(=O)O


InChI

InChI=1S/C21H38N4O10/c26-15-16(27)12-22-4-6-23(13-19(30)31)8-10-25(11-9-24(7-5-22)14-20(32)33)17(21(34)35)2-1-3-18(28)29/h16-17,26-27H,1-15H2,(H,28,29)(H,30,31)(H,32,33)(H,34,35)


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