2-[4-[2-(2-azanylethylamino)-2-oxidanylidene-ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(2-azanylethylamino)-2-oxidanylidene-ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(2-aminoethylamino)-2-oxo-ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4-[2-(2-aminoethylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4-[2-(2-aminoethylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4-[2-(2-aminoethylamino)-2-keto-ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C18H34N6O7 MolecularWeight: 446.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)NCCN)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)NCCN)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C18H34N6O7/c19-1-2-20-15(25)11-21-3-5-22(12-16(26)27)7-9-24(14-18(30)31)10-8-23(6-4-21)13-17(28)29/h1-14,19H2,(H,20,25)(H,26,27)(H,28,29)(H,30,31)