[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-[[4-Amino-6-[3-(2-Hydroxyethylamino)Propylamino]-6-Oxohexyl]Carbamoyl]-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# 77368-64-0]

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-[[4-Amino-6-[3-(2-Hydroxyethylamino)Propylamino]-6-Oxohexyl]Carbamoyl]-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: Bleomycinamide, 13-((4-Amino-4,6-Dideoxy-Alpha-L-Talopyranosyl)Oxy)-N(Sup 1)-(4-Amino-5-((3-((2-Hydroxyethyl)Amino)Propyl)Carbamoyl)Pentyl)-19-Demethyl-12-Hydroxy-, Copper Complex; Tallysomycin S(Sub 6A) Copper Complex
• Molecular Formula: C₆₆H₁₀₅N₂₁O₂₈S₂
• Molecular Weight: 1704.80
• CAS Registry Number: 77368-64-0
• 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(NCCCC(CC(NCCCNCCO)=O)N)=O
• InChI: 1S/C66H105N21O28S2/c1-23-40(84-55(86-53(23)71)29(14-36(69)93)78-16-28(68)54(72)103)57(105)85-42(50(30-17-75-22-79-30)112-65-52(46(99)43(96)34(18-89)111-65)113-64-48(101)51(114-66(73)108)44(97)35(19-90)110-64)59(107)80-24(2)33(92)15-38(95)83-41(25(3)91)58(106)87-60(115-63-47(100)45(98)39(70)26(4)109-63)49(102)62-82-32(21-117-62)61-81-31(20-116-61)56(104)77-9-5-7-27(67)13-37(94)76-10-6-8-74-11-12-88/h17,20-22,24-29,33-35,39,41-52,60,63-65,74,78,88-92,96-102H,5-16,18-19,67-68,70H2,1-4H3,(H2,69,93)(H2,72,103)(H2,73,108)(H,75,79)(H,76,94)(H,77,104)(H,80,107)(H,83,95)(H,85,105)(H,87,106)(H2,71,84,86)
• InChIKey: QCXCCDYJPYDVBP-UHFFFAOYSA-N

Properties

• Density: 1.614g/cm³ (Cal.)