83A
N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid
Find entries where: 83A
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
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Name | N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid |
Synonyms | antifolate AGF183 |
Identifiers | (2~{S})-2-[[4-[2-(2-azanyl-4-oxidanylidene-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioic acid |
Formula | C20 H22 N6 O6 |
Molecular Weight | 442.425 |
Type | NON-POLYMER |
Isomeric SMILES | c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCc2cc3c([nH]2)N=C(NC3=O)N |
InChI | InChI=1S/C20H22N6O6/c21-20-25-16-13(18(30)26-20)9-12(23-16)7-8-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,9,14,22H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)/t14-/m0/s1 |
InChIKey | UFNWIIALSMNORN-AWEZNQCLSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 54 |
Chiral Atom Count | 1 |
Bond Count | 56 |
Aromatic Bond Count | 11 |
Related Resource References
Resource Name | Reference |
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PubChem | 73442845, 135567163 |