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DBCO-PEG4-VC-PAB-MMAE
| Catalog Number | CCR2129164914 |
| CAS | 2129164-91-4 |
| Synonyms | DBCO-PEG4-Val-Cit-PAB-MMAE |
| IUPAC Name | [4-[[(2S)-2-[[(2S)-2-[3-[2-[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]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate |
| Molecular Weight | 1658.1 |
| Molecular Formula | C88H128N12O19 |
| Canonical SMILES | CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | InChI=1S/C88H128N12O19/c1-15-59(8)79(71(113-13)53-75(104)99-44-24-32-70(99)81(114-14)60(9)82(106)92-61(10)80(105)65-27-17-16-18-28-65)97(11)86(110)77(57(4)5)96-85(109)78(58(6)7)98(12)88(112)119-55-62-33-37-67(38-34-62)93-83(107)68(30-23-42-91-87(89)111)94-84(108)76(56(2)3)95-73(102)41-45-115-47-49-117-51-52-118-50-48-116-46-43-90-72(101)39-40-74(103)100-54-66-29-20-19-25-63(66)35-36-64-26-21-22-31-69(64)100/h16-22,25-29,31,33-34,37-38,56-61,68,70-71,76-81,105H,15,23-24,30,32,39-55H2,1-14H3,(H,90,101)(H,92,106)(H,93,107)(H,94,108)(H,95,102)(H,96,109)(H3,89,91,111)/t59-,60+,61+,68-,70-,71+,76-,77-,78-,79-,80+,81+/m0/s1 |
| InChI Key | LJJUBMUNOGZMDD-UDEUCFDSSA-N |
| Purity | 98% |
| Application | SPAAC & SPANC Click Reaction |
| Storage | -20 °C |
| Complexity | 3230 |
| Exact Mass | 1656.94186990 |
| Isomeric SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| Monoisotopic Mass | 1656.94186990 |
| Topological Polar Surface Area | 396Ų |
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