3YF
(S)-2-({4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid
Find entries where: 3YF
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | (S)-2-({4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid |
Identifiers | (2S)-2-[[4-[3-(2-azanyl-4-oxidanylidene-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl]carbonylamino]pentanedioic acid |
Formula | C19 H21 N5 O6 S |
Molecular Weight | 447.465 |
Type | NON-POLYMER |
Isomeric SMILES | c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCc2cc3c([nH]2)N=C(NC3=O)N |
InChI | InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)7-10(21-15)3-1-2-9-6-13(31-8-9)17(28)22-12(18(29)30)4-5-14(25)26/h6-8,12H,1-5H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1 |
InChIKey | UNSSSMUKJOLMJV-LBPRGKRZSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 52 |
Chiral Atom Count | 1 |
Bond Count | 54 |
Aromatic Bond Count | 10 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL3628344 |
PubChem | 51347243, 135567034 |
ChEMBL | CHEMBL3628344 |