77368-64-0

Structural Information

Molecular Formula

C₆₆H₁₀₅N₂₁O₂₈S₂

SMILES

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCO)N)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N

InChI

InChI=1S/C66H105N21O28S2/c1-23-40(84-55(86-53(23)71)29(14-36(69)93)78-16-28(68)54(72)103)57(105)85-42(50(30-17-75-22-79-30)112-65-52(46(99)43(96)34(18-89)111-65)113-64-48(101)51(114-66(73)108)44(97)35(19-90)110-64)59(107)80-24(2)33(92)15-38(95)83-41(25(3)91)58(106)87-60(115-63-47(100)45(98)39(70)26(4)109-63)49(102)62-82-32(21-117-62)61-81-31(20-116-61)56(104)77-9-5-7-27(67)13-37(94)76-10-6-8-74-11-12-88/h17,20-22,24-29,33-35,39,41-52,60,63-65,74,78,88-92,96-102H,5-16,18-19,67-68,70H2,1-4H3,(H2,69,93)(H2,72,103)(H2,73,108)(H,75,79)(H,76,94)(H,77,104)(H,80,107)(H,83,95)(H,85,105)(H,87,106)(H2,71,84,86)

InChIKey

QCXCCDYJPYDVBP-UHFFFAOYSA-N

Compound name

[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[4-[4-[[4-amino-6-[3-(2-hydroxyethylamino)propylamino]-6-oxohexyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-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 3059869