AW1
5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine
Find entries where: AW1
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine |
Identifiers | 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-propan-2-yl-amino]propyl]-3-(4-tert-butylphenyl)urea |
Formula | C27 H40 N8 O4 |
Molecular Weight | 540.658 |
Type | NON-POLYMER |
Isomeric SMILES | CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O |
InChI | InChI=1S/C27H40N8O4/c1-16(2)34(12-6-11-29-26(38)33-18-9-7-17(8-10-18)27(3,4)5)13-19-21(36)22(37)25(39-19)35-15-32-20-23(28)30-14-31-24(20)35/h7-10,14-16,19,21-22,25,36-37H,6,11-13H2,1-5H3,(H2,28,30,31)(H2,29,33,38)/t19-,21-,22-,25-/m1/s1 |
InChIKey | MTLMDZJUGDUTCP-PTGPVQHPSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 79 |
Chiral Atom Count | 4 |
Bond Count | 82 |
Aromatic Bond Count | 16 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL2171169 |
PubChem | 56951879 |
ChEMBL | CHEMBL2171169 |