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| Standard English name | |
|---|---|
| Cas No. | 1001094-13-8 |
| Alias | (S)-2-amino-N-((S)-3-((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-((S)-2-(3-hexylureido)-3-(1H-indol-3-yl)propanamido)-3-oxopropyl)-3-(1H-indol-3-yl)propanamide |
| Canonical Smiles | CCCCCCNC(=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 | 828.39187 |
| 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(NCCCCCC)=O)=O)=O |
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| Inchi | InChI=1S/C41H52N10O9/c1-2-3-4-9-15-43-40(58)49-30(18-24-20-45-29-13-8-6-11-26(24)29)38(57)48-31(21-46-36(55)27(42)17-23-19-44-28-12-7-5-10-25(23)28)37(56)47-22-32-34(53)35(54)39(60-32)51-16-14-33(52)50-41(51)59/h5-8,10-14,16,19-20,27,30-32,34-35,39,44-45,53-54H,2-4,9,15,17-18,21-22,42H2,1H3,(H,46,55)(H,47,56)(H,48,57)(H2,43,49,58)(H,50,52,59)/t27-,30-,31-,32+,34+,35+,39+/m0/s1 |
| InchiKey | OQYOHOMSKHJTID-AZTCWEHRSA-N |
| Remark |
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