[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-Aminopropylcarbamoyl)-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# 77368-73-1]

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-Aminopropylcarbamoyl)-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-Aminopropylcarbamoyl)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-Aminopropylcarbamoyl)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-Aminopropylcarbamoyl)-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: C₅₈H₈₉N₁₉O₂₆S₂
• Molecular Weight: 1532.57
• CAS Registry Number: 77368-73-1
• 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)=O
• InChI: 1S/C58H89N19O26S2/c1-17-32(74-47(76-45(17)63)22(8-29(61)82)68-10-21(60)46(64)91)49(93)75-34(42(23-11-66-16-69-23)100-57-44(38(87)35(84)27(12-78)99-57)101-56-40(89)43(102-58(65)96)36(85)28(13-79)98-56)51(95)70-18(2)26(81)9-30(83)73-33(19(3)80)50(94)77-52(103-55-39(88)37(86)31(62)20(4)97-55)41(90)54-72-25(15-105-54)53-71-24(14-104-53)48(92)67-7-5-6-59/h11,14-16,18-22,26-28,31,33-44,52,55-57,68,78-81,84-90H,5-10,12-13,59-60,62H2,1-4H3,(H2,61,82)(H2,64,91)(H2,65,96)(H,66,69)(H,67,92)(H,70,95)(H,73,83)(H,75,93)(H,77,94)(H2,63,74,76)
• InChIKey: IOXGXLCGVCYVSJ-UHFFFAOYSA-N

Properties

• Density: 1.665g/cm³ (Cal.)