77368-79-7

Structural Information

Molecular Formula

C₆₂H₉₇N₁₉O₂₈S₂

SMILES

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCN(CCO)CCO)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/C62H97N19O28S2/c1-21-36(77-51(79-49(21)66)26(12-33(64)88)71-14-25(63)50(67)97)53(99)78-38(46(27-15-69-20-72-27)106-61-48(42(93)39(90)31(16-84)105-61)107-60-44(95)47(108-62(68)102)40(91)32(17-85)104-60)55(101)73-22(2)30(87)13-34(89)76-37(23(3)86)54(100)80-56(109-59-43(94)41(92)35(65)24(4)103-59)45(96)58-75-29(19-111-58)57-74-28(18-110-57)52(98)70-6-5-7-81(8-10-82)9-11-83/h15,18-20,22-26,30-32,35,37-48,56,59-61,71,82-87,90-96H,5-14,16-17,63,65H2,1-4H3,(H2,64,88)(H2,67,97)(H2,68,102)(H,69,72)(H,70,98)(H,73,101)(H,76,89)(H,78,99)(H,80,100)(H2,66,77,79)

InChIKey

VLVFJAPDCSPNKT-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-[3-[bis(2-hydroxyethyl)amino]propylcarbamoyl]-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 3059882