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4-Pentynoyl-val-ala-PAB-PNP
| Catalog Number | CCR1956294760 |
| CAS | 1956294-76-0 |
| IUPAC Name | [4-[[(2S)-2-[[(2S)-3-Methyl-2-(Pent-4-ynoylamino)butanoyl]amino]propanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate |
| Molecular Weight | 538.5 |
| Molecular Formula | C27H30N4O8 |
| Canonical SMILES | CC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCC#C |
| InChI | InChI=1S/C27H30N4O8/c1-5-6-7-23(32)30-24(17(2)3)26(34)28-18(4)25(33)29-20-10-8-19(9-11-20)16-38-27(35)39-22-14-12-21(13-15-22)31(36)37/h1,8-15,17-18,24H,6-7,16H2,2-4H3,(H,28,34)(H,29,33)(H,30,32)/t18-,24-/m0/s1 |
| InChI Key | HIHCCJAGZUJVAO-UUOWRZLLSA-N |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Complexity | 909 |
| Exact Mass | 538.20636393 |
| Isomeric SMILES | C[C@@H](C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)[C@H](C(C)C)NC(=O)CCC#C |
| Monoisotopic Mass | 538.20636393 |
| Topological Polar Surface Area | 169 Ų |
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