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

Systemtic Name: 2,3-bis[4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanedioic acid Openeye Name: 2,3-bis[4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanedioic acid CAS Name: 2,3-bis[4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanedioic acid IUPAC Name: 2,3-bis[4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanedioic acid Traditional Name: 2,3-bis[4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]succinic acid Formula: C28H50N8O12 MolecularWeight: 690.743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1)CC(=O)O)C(C(C(=O)O)N2CCN(CCNCCN(CC2)CC(=O)O)CC(=O)O)C(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1)CC(=O)O)C(C(C(=O)O)N2CCN(CCNCCN(CC2)CC(=O)O)CC(=O)O)C(=O)O)CC(=O)O

InChI

InChI=1S/C28H50N8O12/c37-21(38)17-31-5-1-29-2-6-32(18-22(39)40)10-14-35(13-9-31)25(27(45)46)26(28(47)48)36-15-11-33(19-23(41)42)7-3-30-4-8-34(12-16-36)20-24(43)44/h25-26,29-30H,1-20H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)