[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-Hydroxyethylamino)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-(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# 77368-75-3]

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-(2-Hydroxyethylamino)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-(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-(2-Hydroxyethylamino)Propylcarbamoyl]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-(2-Hydroxyethylamino)Propylcarbamoyl]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-(2-Hydroxyethylamino)Propylcarbamoyl]-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: C₆₀H₉₃N₁₉O₂₇S₂
• Molecular Weight: 1576.63
• CAS Registry Number: 77368-75-3
• 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(NCCCNCCO)=O
• InChI: 1S/C60H93N19O27S2/c1-19-34(76-49(78-47(19)64)24(10-31(62)85)70-12-23(61)48(65)94)51(96)77-36(44(25-13-68-18-71-25)103-59-46(40(90)37(87)29(14-81)102-59)104-58-42(92)45(105-60(66)99)38(88)30(15-82)101-58)53(98)72-20(2)28(84)11-32(86)75-35(21(3)83)52(97)79-54(106-57-41(91)39(89)33(63)22(4)100-57)43(93)56-74-27(17-108-56)55-73-26(16-107-55)50(95)69-7-5-6-67-8-9-80/h13,16-18,20-24,28-30,33,35-46,54,57-59,67,70,80-84,87-93H,5-12,14-15,61,63H2,1-4H3,(H2,62,85)(H2,65,94)(H2,66,99)(H,68,71)(H,69,95)(H,72,98)(H,75,86)(H,77,96)(H,79,97)(H2,64,76,78)
• InChIKey: RYKNHYOWVFSDAT-UHFFFAOYSA-N

Properties

• Density: 1.654g/cm³ (Cal.)