5BY
{2-[2-(2-{4-[(1E)-4-{[(2S)-1-{[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid
Find entries where: 5BY
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | {2-[2-(2-{4-[(1E)-4-{[(2S)-1-{[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid |
| Identifiers | 2-[2-[2-[2-[4-[(E)-4-[[(2S)-1-[[(1R)-1-(dihydroxyboranyl)-3-methyl-butyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-but-1-enyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanoic acid |
| Formula | C28 H42 B N5 O9 |
| Molecular Weight | 603.472 |
| Type | NON-POLYMER |
| Isomeric SMILES | B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C/C=C/c2cn(nn2)CCOCCOCCOCC(=O)O)(O)O |
| InChI | InChI=1S/C28H42BN5O9/c1-21(2)17-25(29(39)40)31-28(38)24(18-22-7-4-3-5-8-22)30-26(35)10-6-9-23-19-34(33-32-23)11-12-41-13-14-42-15-16-43-20-27(36)37/h3-9,19,21,24-25,39-40H,10-18,20H2,1-2H3,(H,30,35)(H,31,38)(H,36,37)/b9-6+/t24-,25-/m0/s1 |
| InChIKey | GVUUMFJCOIHUSH-QCRXNWCPSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 85 |
| Chiral Atom Count | 2 |
| Bond Count | 86 |
| Aromatic Bond Count | 11 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 137348332 |
