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| Standard English name | |
|---|---|
| Cas No. | 1001094-06-9 |
| Alias | (S)-2-(3-(3-acetylphenyl)ureido)-N-((S)-3-((S)-2-amino-3-(1H-indol-3-yl)propanamido)-1-((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-1-oxopropan-2-yl)-3-(1H-indol-3-yl)propanamide |
| Canonical Smiles | CC(=O)C1=CC(=CC=C1)NC(=O)N[C@@H](CC1=CNC2C=CC=CC1=2)C(=O)N[C@@H](CNC(=O)[C@@H](N)CC1=CNC2C=CC=CC1=2)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O |
| MDL No. | |
| Exact Mass | 862.33984 |
| Smiles | O[C@@H]([C@H]([C@H](N1C(NC(C=C1)=O)=O)O2)O)[C@H]2CNC([C@H](CNC([C@@H](N)CC3=CNC4=C3C=CC=C4)=O)NC([C@H](CC5=CNC6=C5C=CC=C6)NC(NC7=CC=CC(C(C)=O)=C7)=O)=O)=O |
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| Inchi | InChI=1S/C43H46N10O10/c1-22(54)23-7-6-8-26(15-23)49-42(61)51-32(17-25-19-46-31-12-5-3-10-28(25)31)40(60)50-33(20-47-38(58)29(44)16-24-18-45-30-11-4-2-9-27(24)30)39(59)48-21-34-36(56)37(57)41(63-34)53-14-13-35(55)52-43(53)62/h2-15,18-19,29,32-34,36-37,41,45-46,56-57H,16-17,20-21,44H2,1H3,(H,47,58)(H,48,59)(H,50,60)(H2,49,51,61)(H,52,55,62)/t29-,32-,33-,34+,36+,37+,41+/m0/s1 |
| InchiKey | BFVCDHDXXUGBPA-PNMRAKLQSA-N |
| Remark |
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