Bleomycinamide
[CAS# 41138-54-9]

Identification

• Name: Bleomycinamide
• 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-Carbamoylthiazol-2-Yl)Thiazol-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-Carbamoyl-2-Thiazolyl)-2-Thiazolyl]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-Carbamoylthiazol-2-Yl)Thiazol-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: C₅₀H₇₃N₁₇O₂₁S₂
• Molecular Weight: 1312.35
• CAS Registry Number: 41138-54-9
• SMILES: C6=C(C(C(NC(C1=C(C(=NC(=N1)C(NCC(C(N)=O)N)CC(N)=O)N)C)=O)C(NC(C(C(C(NC(C(NCCC2=NC(=CS2)C3=NC(=CS3)C(N)=O)=O)C(C)O)=O)C)O)C)=O)OC5C(OC4C(C(C(O)C(O4)CO)OC(N)=O)O)C(C(O)C(O5)CO)O)[NH]C=N6
• InChI: 1S/C50H73N17O21S2/c1-15-28(64-42(67-39(15)53)20(7-26(52)71)59-8-19(51)40(54)77)45(81)66-30(36(21-9-57-14-60-21)86-49-38(34(75)32(73)24(10-68)85-49)87-48-35(76)37(88-50(56)83)33(74)25(11-69)84-48)46(82)61-17(3)31(72)16(2)43(79)65-29(18(4)70)44(80)58-6-5-27-62-23(13-89-27)47-63-22(12-90-47)41(55)78/h9,12-14,16-20,24-25,29-38,48-49,59,68-70,72-76H,5-8,10-11,51H2,1-4H3,(H2,52,71)(H2,54,77)(H2,55,78)(H2,56,83)(H,57,60)(H,58,80)(H,61,82)(H,65,79)(H,66,81)(H2,53,64,67)
• InChIKey: NYJRSYHHHBHHOR-UHFFFAOYSA-N

Properties

• Density: 1.65g/cm³ (Cal.)