[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-Amino-2-Hydroxypropyl)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-(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# 77368-71-9]

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-Amino-2-Hydroxypropyl)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-(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-Amino-2-Hydroxy-Propyl)Carbamoyl]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-Amino-2-Hydroxy-Propyl)Carbamoyl]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-Amino-2-Hydroxy-Propyl)Carbamoyl]-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: C₅₈H₈₉N₁₉O₂₇S₂
• Molecular Weight: 1548.57
• CAS Registry Number: 77368-71-9
• 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(NCC(CN)O)=O
• InChI: 1S/C58H89N19O27S2/c1-16-32(74-47(76-45(16)63)22(5-29(61)83)67-9-21(60)46(64)92)49(94)75-34(42(23-10-66-15-69-23)101-57-44(38(88)35(85)27(11-78)100-57)102-56-40(90)43(103-58(65)97)36(86)28(12-79)99-56)51(96)70-17(2)26(82)6-30(84)73-33(18(3)80)50(95)77-52(104-55-39(89)37(87)31(62)19(4)98-55)41(91)54-72-25(14-106-54)53-71-24(13-105-53)48(93)68-8-20(81)7-59/h10,13-15,17-22,26-28,31,33-44,52,55-57,67,78-82,85-91H,5-9,11-12,59-60,62H2,1-4H3,(H2,61,83)(H2,64,92)(H2,65,97)(H,66,69)(H,68,93)(H,70,96)(H,73,84)(H,75,94)(H,77,95)(H2,63,74,76)
• InChIKey: PKKLTUMPLGJUAU-UHFFFAOYSA-N

Properties

• Density: 1.687g/cm³ (Cal.)