[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-Methylaminopropylcarbamoyl)-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-(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# 77368-77-5]

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-Hydroxy-2-[4-[4-(3-Methylaminopropylcarbamoyl)-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-(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-Hydroxy-2-[4-[4-(3-Methylaminopropylcarbamoyl)Thiazol-2-Yl]Thiazol-2-Yl]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-Hydroxy-2-[4-[4-(3-Methylaminopropylcarbamoyl)Thiazol-2-Yl]Thiazol-2-Yl]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-Hydroxy-2-[4-[4-(3-Methylaminopropylcarbamoyl)-1,3-Thiazol-2-Yl]-1,3-Thiazol-2-Yl]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: C₅₉H₉₁N₁₉O₂₆S₂
• Molecular Weight: 1546.60
• CAS Registry Number: 77368-77-5
• 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(NCCCNC)=O
• InChI: 1S/C59H91N19O26S2/c1-18-33(75-48(77-46(18)63)23(9-30(61)83)69-11-22(60)47(64)92)50(94)76-35(43(24-12-67-17-70-24)101-58-45(39(88)36(85)28(13-79)100-58)102-57-41(90)44(103-59(65)97)37(86)29(14-80)99-57)52(96)71-19(2)27(82)10-31(84)74-34(20(3)81)51(95)78-53(104-56-40(89)38(87)32(62)21(4)98-56)42(91)55-73-26(16-106-55)54-72-25(15-105-54)49(93)68-8-6-7-66-5/h12,15-17,19-23,27-29,32,34-45,53,56-58,66,69,79-82,85-91H,6-11,13-14,60,62H2,1-5H3,(H2,61,83)(H2,64,92)(H2,65,97)(H,67,70)(H,68,93)(H,71,96)(H,74,84)(H,76,94)(H,78,95)(H2,63,75,77)
• InChIKey: CVLZYFXMGKWINC-UHFFFAOYSA-N

Properties

• Density: 1.645g/cm³ (Cal.)