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| Standard English name | |
|---|---|
| Cas No. | 1001094-22-9 |
| 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)-3-(4-hydroxyphenyl)-2-(3-(4-methoxyphenyl)ureido)propanamido)-3-oxopropyl)-3-(4-nitrophenyl)propanamide |
| Canonical Smiles | COC1=CC=C(C=C1)NC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CNC(=O)[C@@H](N)CC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O |
| MDL No. | |
| Exact Mass | 833.29803 |
| 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=CC=C([N+]([O-])=O)C=C3)=O)NC([C@H](CC4=CC=C(O)C=C4)NC(NC5=CC=C(OC)C=C5)=O)=O)=O |
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| Inchi | InChI=1S/C38H43N9O13/c1-59-25-12-6-22(7-13-25)42-37(55)44-27(17-21-4-10-24(48)11-5-21)35(54)43-28(18-40-33(52)26(39)16-20-2-8-23(9-3-20)47(57)58)34(53)41-19-29-31(50)32(51)36(60-29)46-15-14-30(49)45-38(46)56/h2-15,26-29,31-32,36,48,50-51H,16-19,39H2,1H3,(H,40,52)(H,41,53)(H,43,54)(H2,42,44,55)(H,45,49,56)/t26-,27-,28-,29+,31+,32+,36+/m0/s1 |
| InchiKey | GKYWRKRXLQRJDM-MHLYKUTASA-N |
| Remark |
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