77368-81-1

Structural Information

Molecular Formula

C₆₄H₉₉N₁₉O₂₆S₂

SMILES

CC1CCCCN1CCCNC(=O)C2=CSC(=N2)C3=CSC(=N3)C(C(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)OC8C(C(C(C(O8)C)N)O)O)O

InChI

InChI=1S/C64H99N19O26S2/c1-22-9-6-7-11-83(22)12-8-10-72-54(98)30-19-110-59(76-30)31-20-111-60(77-31)47(96)58(109-61-45(94)43(92)37(67)26(5)103-61)82-56(100)39(25(4)86)78-36(89)14-32(87)24(3)75-57(101)40(80-55(99)38-23(2)51(68)81-53(79-38)28(13-35(66)88)73-15-27(65)52(69)97)48(29-16-71-21-74-29)106-63-50(44(93)41(90)33(17-84)105-63)107-62-46(95)49(108-64(70)102)42(91)34(18-85)104-62/h16,19-22,24-28,32-34,37,39-50,58,61-63,73,84-87,90-96H,6-15,17-18,65,67H2,1-5H3,(H2,66,88)(H2,69,97)(H2,70,102)(H,71,74)(H,72,98)(H,75,101)(H,78,89)(H,80,99)(H,82,100)(H2,68,79,81)

InChIKey

HUELGRJSTYMPIR-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-hydroxy-2-[4-[4-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethyl]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 3059883