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BCN-PEG1-Val-Cit-PABC-OH
| Catalog Number | CCR276 |
| IUPAC Name | [(1S,8R)-9-Bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[3-[[1-[[(2S)-5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethyl]carbamate |
| Molecular Weight | 670.8 |
| Molecular Formula | C34H50N6O8 |
| Canonical SMILES | CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCNC(=O)OCC2C3C2CCC#CCC3 |
| InChI | InChI=1S/C34H50N6O8/c1-22(2)30(32(44)39-28(10-7-16-36-33(35)45)31(43)38-24-13-11-23(20-41)12-14-24)40-29(42)15-18-47-19-17-37-34(46)48-21-27-25-8-5-3-4-6-9-26(25)27/h11-14,22,25-28,30,41H,5-10,15-21H2,1-2H3,(H,37,46)(H,38,43)(H,39,44)(H,40,42)(H3,35,36,45)/t25-,26+,27?,28-,30?/m0/s1 |
| InChI Key | OSYNANIXGPEZED-HTSKXJMHSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 1130 |
| Exact Mass | 670.36901257 |
| Isomeric SMILES | CC(C)C(C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCNC(=O)OCC2[C@H]3[C@@H]2CCC#CCC3 |
| Monoisotopic Mass | 670.36901257 |
| Topological Polar Surface Area | 210Ų |
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