V9T
4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
Find entries where: V9T
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide |
Identifiers | 4-[[(3~{S})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide |
Formula | C28 H38 N6 O3 |
Molecular Weight | 506.64 |
Type | NON-POLYMER |
Isomeric SMILES | CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3O)CN4CC5([C@@H]4C6CC6)CCC5)O |
InChI | InChI=1S/C28H38N6O3/c1-29-23-13-24(32-18-31-23)33-11-3-10-28(37,17-33)15-30-26(36)21-7-4-19(12-22(21)35)14-34-16-27(8-2-9-27)25(34)20-5-6-20/h4,7,12-13,18,20,25,35,37H,2-3,5-6,8-11,14-17H2,1H3,(H,30,36)(H,29,31,32)/t25-,28+/m0/s1 |
InChIKey | JWBZACHWPMPYIU-LBNVMWSVSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 75 |
Chiral Atom Count | 2 |
Bond Count | 80 |
Aromatic Bond Count | 12 |
Related Resource References
Resource Name | Reference |
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PubChem | 156619956 |