Phleomycin E
[CAS# 11031-13-3]

Identification

• Name: Phleomycin E
• 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-[2-[4-[4-[4-[(N'-(4-Guanidinobutyl)Carbamimidoyl)Amino]Butylcarbamoyl]Thiazol-2-Yl]-4,5-Dihydrothiazol-2-Yl]Ethylcarbamoyl]-2-Hydroxy-Propyl]Amino]-2-Hydroxy-1,3-Dimethyl-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-Oxopropyl)Amino]-3-Oxopropyl]-5-Methyl-4-Pyrimidinyl]-Oxomethyl]Amino]-3-[[4-[[1-[[2-[4-[4-[[4-[[Amino-(4-Guanidinobutylimino)Methyl]Amino]Butylamino]-Oxomethyl]-2-Thiazolyl]-4,5-Dihydrothiazol-2-Yl]Ethylamino]-Oxomethyl]-2-Hydroxypropyl]Amino]-2-Hydroxy-1,3-Dimethyl-4-Oxobutyl]Amino]-1-(3H-Imidazol-4-Yl)-3-Oxopropoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-3,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl] Ester; 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-[2-[4-[4-[4-[(N'-(4-Guanidinobutyl)Carbamimidoyl)Amino]Butylcarbamoyl]Thiazol-2-Yl]-4,5-Dihydrothiazol-2-Yl]Ethylcarbamoyl]-2-Hydroxy-Propyl]Amino]-2-Hydroxy-4-Keto-1,3-Dimethyl-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
• Molecular Formula: C₆₀H₉₇N₂₃O₂₁S₂
• Molecular Weight: 1540.69
• CAS Registry Number: 11031-13-3
• SMILES: C1=C([NH]C=N1)C(OC2OC(C(O)C(O)C2OC3OC(C(O)C(OC(=O)N)C3O)CO)CO)C(NC(=O)C4=C(C(=NC(=N4)C(NCC(N)C(=O)N)CC(=O)N)N)C)C(=O)NC(C(O)C(C)C(=O)NC(C(O)C)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)NCCCCNC(=NCCCCN=C(N)N)N)C
• InChI: 1S/C60H97N23O21S2/c1-23-36(80-49(83-47(23)63)28(15-34(62)87)75-16-27(61)48(64)93)53(97)82-38(44(29-17-69-22-76-29)102-57-46(42(91)40(89)32(18-84)101-57)103-56-43(92)45(104-60(68)99)41(90)33(19-85)100-56)54(98)77-25(3)39(88)24(2)50(94)81-37(26(4)86)52(96)71-14-9-35-78-31(21-105-35)55-79-30(20-106-55)51(95)70-10-5-7-12-73-59(67)74-13-8-6-11-72-58(65)66/h17,20,22,24-28,31-33,37-46,56-57,75,84-86,88-92H,5-16,18-19,21,61H2,1-4H3,(H2,62,87)(H2,64,93)(H2,68,99)(H,69,76)(H,70,95)(H,71,96)(H,77,98)(H,81,94)(H,82,97)(H2,63,80,83)(H4,65,66,72)(H3,67,73,74)
• InChIKey: NVEXEWYGCXIGOY-UHFFFAOYSA-N

Properties

• Density: 1.752g/cm³ (Cal.)