U6N
(2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
Find entries where: U6N
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid |
Identifiers | (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid |
Formula | C28 H27 Cl N4 O2 |
Molecular Weight | 486.993 |
Type | NON-POLYMER |
Isomeric SMILES | CCc1c(c2c(ncnc2n1CC#CC)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl |
InChI | InChI=1S/C28H27ClN4O2/c1-4-6-15-33-23(5-2)24(20-13-10-14-21(29)18(20)3)25-26(30-17-31-27(25)33)32-22(28(34)35)16-19-11-8-7-9-12-19/h7-14,17,22H,5,15-16H2,1-3H3,(H,34,35)(H,30,31,32)/t22-/m1/s1 |
InChIKey | PMJJSYCWIFTUKH-JOCHJYFZSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 62 |
Chiral Atom Count | 1 |
Bond Count | 65 |
Aromatic Bond Count | 22 |
Related Resource References
Resource Name | Reference |
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PubChem | 155094777 |