N,N'-Bis[2-[2-[4-(4-Amino-5-Hydroxy-6-Methyloxan-2-Yl)Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxoethyl]Sulfanylethyl]Butanediamide
[CAS# 116978-91-7]

Identification

• Name: N,N'-Bis[2-[2-[4-(4-Amino-5-Hydroxy-6-Methyloxan-2-Yl)Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxoethyl]Sulfanylethyl]Butanediamide
• Synonyms: N,N'-Bis[2-[2-[4-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxo-Ethyl]Sulfanylethyl]Butanediamide; N,N'-Bis[2-[[2-[4-[(4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxoethyl]Thio]Ethyl]Butanediamide; N,N'-Bis[2-[[2-[4-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2,5,12-Trihydroxy-6,11-Diketo-7-Methoxy-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Keto-Ethyl]Thio]Ethyl]Succinamide
• Molecular Formula: C₆₂H₇₀N₄O₂₂S₂
• Molecular Weight: 1287.37
• CAS Registry Number: 116978-91-7
• SMILES: C%10=C9C(=O)C1=C(C(=C2C(=C1O)CC(O)(CC2OC3OC(C(O)C(N)C3)C)C(=O)CSCCNC(=O)CCC(=O)NCCSCC(=O)C6(O)CC4=C(O)C8=C(C(=C4C(OC5OC(C(O)C(N)C5)C)C6)O)C(=O)C7=C(OC)C=CC=C7C8=O)O)C(=O)C9=C(OC)C=C%10
• InChI: 1S/C62H70N4O22S2/c1-25-51(71)31(63)17-41(85-25)87-35-21-61(81,19-29-45(35)59(79)49-47(55(29)75)53(73)27-7-5-9-33(83-3)43(27)57(49)77)37(67)23-89-15-13-65-39(69)11-12-40(70)66-14-16-90-24-38(68)62(82)20-30-46(36(22-62)88-42-18-32(64)52(72)26(2)86-42)60(80)50-48(56(30)76)54(74)28-8-6-10-34(84-4)44(28)58(50)78/h5-10,25-26,31-32,35-36,41-42,51-52,71-72,75-76,79-82H,11-24,63-64H2,1-4H3,(H,65,69)(H,66,70)
• InChIKey: QRRWKTLCKQSSAZ-UHFFFAOYSA-N

Properties

• Density: 1.609g/cm³ (Cal.)