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

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-[3-(didodecylamino)-2-oxidanyl-propyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-[3-(didodecylamino)-2-hydroxy-propyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-[3-(didodecylamino)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-[3-(didodecylamino)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-[3-(dilaurylamino)-2-hydroxy-propyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C41H81N5O7 MolecularWeight: 756.11114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O

InChI

InChI=1S/C41H81N5O7/c1-3-5-7-9-11-13-15-17-19-21-23-42(24-22-20-18-16-14-12-10-8-6-4-2)33-38(47)34-43-25-27-44(35-39(48)49)29-31-46(37-41(52)53)32-30-45(28-26-43)36-40(50)51/h38,47H,3-37H2,1-2H3,(H,48,49)(H,50,51)(H,52,53)