[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-Dimethylaminopropylcarbamoyl)-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-(3H-Imidazol-4-Yl)-3-Oxopropoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl] Carbamate
[CAS# 77368-74-2]

Identification

• 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-Dimethylaminopropylcarbamoyl)-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-(3H-Imidazol-4-Yl)-3-Oxopropoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl] Carbamate
• Synonyms: [2-[2-[2-[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Oxo-Propyl)Amino]-3-Oxo-Propyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-3-[[4-[[1-[[1-(5-Amino-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2-[4-[4-(3-Dimethylaminopropylcarbamoyl)Thiazol-2-Yl]Thiazol-2-Yl]-2-Hydroxy-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Amino]-2-Hydroxy-1-Methyl-4-Oxo-Butyl]Amino]-1-(3H-Imidazol-4-Yl)-3-Oxo-Propoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl] Carbamate; Carbamic Acid [2-[2-[2-[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Keto-Propyl)Amino]-3-Keto-Propyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-3-[[4-[[1-[[1-(5-Amino-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2-[4-[4-(3-Dimethylaminopropylcarbamoyl)Thiazol-2-Yl]Thiazol-2-Yl]-2-Hydroxy-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Amino]-2-Hydroxy-4-Keto-1-Methyl-Butyl]Amino]-1-(3H-Imidazol-4-Yl)-3-Keto-Propoxy]-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Oxy-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl] Ester; [2-[2-[2-[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Oxo-Propyl)Amino]-3-Oxo-Propyl]-5-Methyl-Pyrimidin-4-Yl]Carbonylamino]-3-[[5-[[1-[[1-(5-Amino-3,4-Dihydroxy-6-Methyl-Oxan-2-Yl)Oxy-2-[4-[4-(3-Dimethylaminopropylcarbamoyl)-1,3-Thiazol-2-Yl]-1,3-Thiazol-2-Yl]-2-Hydroxy-Ethyl]Amino]-3-Hydroxy-1-Oxo-Butan-2-Yl]Amino]-3-Hydroxy-5-Oxo-Pentan-2-Yl]Amino]-1-(3H-Imidazol-4-Yl)-3-Oxo-Propoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl] Carbamate
• Molecular Formula: C₆₀H₉₃N₁₉O₂₆S₂
• Molecular Weight: 1560.63
• CAS Registry Number: 77368-74-2
• SMILES: C1=C(N=C(S1)C(C(NC(C(C(C)O)NC(CC(C(NC(C(C(C2=CN=C[NH]2)OC3C(C(C(C(O3)CO)O)O)OC4OC(C(C(C4O)OC(N)=O)O)CO)NC(C5=NC(=NC(=C5C)N)C(NCC(C(N)=O)N)CC(N)=O)=O)=O)C)O)=O)=O)OC6C(C(C(C(O6)C)N)O)O)O)C7=NC(=CS7)C(NCCCN(C)C)=O
• InChI: 1S/C60H93N19O26S2/c1-19-34(75-49(77-47(19)64)24(10-31(62)84)69-12-23(61)48(65)93)51(95)76-36(44(25-13-67-18-70-25)102-59-46(40(89)37(86)29(14-80)101-59)103-58-42(91)45(104-60(66)98)38(87)30(15-81)100-58)53(97)71-20(2)28(83)11-32(85)74-35(21(3)82)52(96)78-54(105-57-41(90)39(88)33(63)22(4)99-57)43(92)56-73-27(17-107-56)55-72-26(16-106-55)50(94)68-8-7-9-79(5)6/h13,16-18,20-24,28-30,33,35-46,54,57-59,69,80-83,86-92H,7-12,14-15,61,63H2,1-6H3,(H2,62,84)(H2,65,93)(H2,66,98)(H,67,70)(H,68,94)(H,71,97)(H,74,85)(H,76,95)(H,78,96)(H2,64,75,77)
• InChIKey: RCZBMUFHTMUAQC-UHFFFAOYSA-N

Properties

• Density: 1.634g/cm³ (Cal.)