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Phomopsin A, TRC
Tekniske data
Tekniske data
| Kemisk navn eller materiale | Phomopsin A |
| CAS | 64925-80-0 |
| Molekylær formel | C36H45ClN6O12 |
| Mængde | 1 mg |
| Synonym | 2-Oxa-5,8-diazabicyclo[10.3.1]hexadecane','cyclic peptide deriv., 3-Chloro-erythro-beta,5-dihydroxy-N-methyl-L-tyrosyl-3,4-didehydro-L-valyl-3-hydroxy-L-isoleucyl-3,4-didehydro-L-prolyl-(E)-2,3-didehydroisoleucyl-(E)-2,3-didehydroaspartic acid cyclic (15-3)-ether, NSC 381839 |
| InChI formel | InChI=1S/C36H45ClN6O12/c1-8-17(5)25(32(50)39-21(35(53)54)14-23(44)45)41-30(48)18-10-11-43(15-18)34(52)29-36(6,9-2)55-22-13-19(12-20(37)28(22)47)27(46)26(38-7)33(51)40-24(16(3)4)31(49)42-29/h10-14,18,24,26-27,29,38,46-47H,3,8-9,15H2,1-2,4-7H3,(H,39,50)(H,40,51)(H,41,48)(H,42,49)(H,44,45)(H,53,54)/b21-14+,25-17+/t18-,24+,26+,27+,29+,36-/m1/s1 |
| SMIL | CC\C(=C(\NC(=O)[C@H]1CN(C=C1)C(=O)[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC)[C@@H](O)c3cc(Cl)c(O)c(O[C@]2(C)CC)c3)C(=C)C)/C(=O)N\C(=C\C(=O)O)\C(=O)O)\C |
| IUPAC navn | (E)-2-[[(E)-2-[[(3R)-1-[(2S,3S,6S,9R,10R)-14-chloro-10-ethyl-2,13-dihydroxy-10-methyl-3-(methylamino)-4,7-dioxo-6-prop-1-en-2-yl-11-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-9-carbonyl]-2,3-dihydropyrrole-3-carbonyl]amino]-3-methylpent-2-enoyl]amino]but-2-enedioic acid |
| Molekylvægt (g/mol) | 789.23 |
| Formel vægt | 788.2784 |
Produkttitel
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