Nc-0604

Structural Information

Molecular Formula

C₅₉H₉₄N₂₀O₂₁S₂

SMILES

CC1=C(N=C(N=C1N[C@H](C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCNCCC(=O)N)O)C(CC(=O)N)NCC(C(=O)N)N)N

InChI

InChI=1S/C59H94N20O21S2/c1-24(52(91)77-38(27(4)82)54(93)70-15-9-37-74-32(22-101-37)56-75-31(21-102-56)53(92)69-13-7-12-66-10-5-6-11-67-14-8-35(61)83)40(85)26(3)73-55(94)39(76-50-25(2)48(63)78-51(79-50)29(16-36(62)84)71-17-28(60)49(64)90)45(30-18-68-23-72-30)98-58-47(43(88)41(86)33(19-80)97-58)99-57-44(89)46(100-59(65)95)42(87)34(20-81)96-57/h18,21-24,26-29,33-34,38-47,57-58,66-67,71,80-82,85-89H,5-17,19-20,60H2,1-4H3,(H2,61,83)(H2,62,84)(H2,64,90)(H2,65,95)(H,68,72)(H,69,92)(H,70,93)(H,73,94)(H,77,91)(H3,63,76,78,79)/t24?,26?,27?,28?,29?,33-,34+,38?,39+,40?,41+,42+,43-,44-,45?,46-,47-,57-,58-/m0/s1

InChIKey

KARUSHFAXMKMET-FOGSEAEJSA-N

Compound name

[(2S,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(2R)-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidin-4-yl]amino]-3-[[5-[[1-[2-[4-[4-[3-[4-[(3-amino-3-oxopropyl)amino]butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate

Related CIDs

• CID 102039240