2-[10-aminocarbonyl-4,7-bis(carboxymethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[10-aminocarbonyl-4,7-bis(carboxymethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[10-carbamoyl-4,7-bis(carboxymethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[10-carbamoyl-4,7-bis(carboxymethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[10-carbamoyl-4,7-bis(carboxymethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[10-carbamoyl-4,7-bis(carboxymethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C16H29N5O7 MolecularWeight: 403.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN(CCN(CCN1CC(=O)O)C(=O)N)CC(=O)O)CC(=O)O

Isomeric SMILES

CC1CN(CCN(CCN(CCN1CC(=O)O)C(=O)N)CC(=O)O)CC(=O)O

InChI

InChI=1S/C16H29N5O7/c1-12-8-19(10-14(24)25)3-2-18(9-13(22)23)4-5-20(16(17)28)6-7-21(12)11-15(26)27/h12H,2-11H2,1H3,(H2,17,28)(H,22,23)(H,24,25)(H,26,27)