2-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]ethanoic acid; gadolinium

Systemtic Name: 2-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]ethanoic acid; gadolinium Openeye Name: 2-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]acetic acid; gadolinium CAS Name: 2-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]acetic acid; gadolinium IUPAC Name: 2-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]acetic acid; gadolinium Traditional Name: 2-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]acetic acid; gadolinium Formula: C14H23GdN3O8 MolecularWeight: 518.59772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN(C1)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Gd]

Isomeric SMILES

CC1(CN(CCN(C1)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Gd]

InChI

InChI=1S/C14H23N3O8.Gd/c1-14(17(6-12(22)23)7-13(24)25)8-15(4-10(18)19)2-3-16(9-14)5-11(20)21;/h2-9H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25);