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| Standard English name | |
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| Cas No. | |
| Alias | 4,4',4''-(20-(4-((1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethynyl)phenyl)porphyrin-5,10,15-triyl)tribenzoic acid |
| Canonical Smiles | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(C#CC2C=CC(=CC=2)C2C3=CC=C(N3)C(=C3C=CC(=N3)C(=C3C=CC(N3)=C(C3C=CC=2N=3)C2C=CC(=CC=2)C(O)=O)C2C=CC(=CC=2)C(O)=O)C2C=CC(=CC=2)C(O)=O)C(=O)NC1=O |
| MDL No. | |
| Exact Mass | 1,012.27042 |
| Smiles | O[C@H]1[C@H](N(C(N2)=O)C=C(C#CC3=CC=C(/C4=C5C=CC(/C(C6=CC=C(C=C6)C(O)=O)=C(N/7)/C=CC7=C(C8=CC=C(C=C8)C(O)=O)\C9=N/C(C=C9)=C(C%10=CC=C(C=C%10)C(O)=O)\C%11=CC=C4N%11)=N\5)C=C3)C2=O)O[C@H](CO)[C@H]1O |
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| Inchi | InChI=1S/C58H40N6O12/c65-28-46-51(66)52(67)54(76-46)64-27-37(53(68)63-58(64)75)6-3-29-1-4-30(5-2-29)47-38-19-21-40(59-38)48(31-7-13-34(14-8-31)55(69)70)42-23-25-44(61-42)50(33-11-17-36(18-12-33)57(73)74)45-26-24-43(62-45)49(41-22-20-39(47)60-41)32-9-15-35(16-10-32)56(71)72/h1-2,4-5,7-27,46,51-52,54,59,62,65-67H,28H2,(H,69,70)(H,71,72)(H,73,74)(H,63,68,75)/b47-38?,47-39-,48-40?,48-42-,49-41?,49-43-,50-44?,50-45-/t46-,51-,52-,54-/m1/s1 |
| InchiKey | NMDGPYUADMBPDQ-IKUMKUSPSA-N |
| Remark |
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