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DBCO-PEG4-propionic-Val-Cit-PAB
| Catalog Number | CCR172 |
| IUPAC Name | (2S)-2-[[(2S)-2-[3-[2-[2-[2-[[4-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]pentanamide |
| Molecular Weight | 870.00 |
| Molecular Formula | C46H59N7O10 |
| Canonical SMILES | CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C46H59N7O10/c1-32(2)43(45(59)51-38(11-7-22-49-46(47)60)44(58)50-37-17-13-33(31-54)14-18-37)52-41(56)21-24-61-26-28-63-29-27-62-25-23-48-40(55)19-20-42(57)53-30-36-10-4-3-8-34(36)15-16-35-9-5-6-12-39(35)53/h3-6,8-10,12-14,17-18,32,38,43,54H,7,11,19-31H2,1-2H3,(H,48,55)(H,50,58)(H,51,59)(H,52,56)(H3,47,49,60)/t38-,43-/m0/s1 |
| InChI Key | XBZPASAZKMZZJP-SEAIMCLSSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 1530 |
| Exact Mass | 869.43234110 |
| Isomeric SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| Monoisotopic Mass | 869.43234110 |
| Topological Polar Surface Area | 240Ų |
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