Nazwa analitu

(4R)-Omadacycline

Numer CAS

601455-29-2

Wzór cząsteczkowy

C29H40N4O7

Masa cząsteczkowa

556.65

SMILES

OC1=C(C(C2=C(O)[C@@](C(C(C(N)=O)=C(O)[C@@H]3N(C)C)=O)(O)[C@@]3([H])C[C@]2([H])C4)=O)C4=C(N(C)C)C=C1CNCC(C)(C)C

InChI

InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21+,29-/m0/s1

IUPAC

(4R,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Kraj pochodzenia

CANADA

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