2-[bis[2-[carboxymethyl-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid; gadolinium

Systemtic Name: 2-[bis[2-[carboxymethyl-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid; gadolinium Openeye Name: 2-[bis[2-[carboxymethyl-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxo-ethyl]amino]ethyl]amino]acetic acid; gadolinium CAS Name: 2-[bis[2-[carboxymethyl-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid; gadolinium IUPAC Name: 2-[bis[2-[carboxymethyl-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid; gadolinium Traditional Name: 2-[bis[2-[carboxymethyl-[2-[2-(4-hydroxyphenyl)ethylamino]-2-keto-ethyl]amino]ethyl]amino]acetic acid; gadolinium Formula: C30H41GdN5O10 MolecularWeight: 788.92404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CN(CCN(CCN(CC(=O)NCCC2=CC=C(C=C2)O)CC(=O)O)CC(=O)O)CC(=O)O)O.[Gd]

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CN(CCN(CCN(CC(=O)NCCC2=CC=C(C=C2)O)CC(=O)O)CC(=O)O)CC(=O)O)O.[Gd]

InChI

InChI=1S/C30H41N5O10.Gd/c36-24-5-1-22(2-6-24)9-11-31-26(38)17-34(20-29(42)43)15-13-33(19-28(40)41)14-16-35(21-30(44)45)18-27(39)32-12-10-23-3-7-25(37)8-4-23;/h1-8,36-37H,9-21H2,(H,31,38)(H,32,39)(H,40,41)(H,42,43)(H,44,45);