Amythiamycin A
[CAS# 152741-89-4]

Identification

• Name: Amythiamycin A
• Synonyms: Nci60_027665; Amythiamicin A; Nsc677423
• Molecular Formula: C₅₀H₅₁N₁₅O₈S₆
• Molecular Weight: 1182.41
• CAS Registry Number: 152741-89-4
• SMILES: N1=C6SC=C1C2=NC(=CC=C2C3=NC(=CS3)C(=O)NC(C4=NC(=C(S4)C)C(=O)NC(C5=NC(=CS5)C(=O)NCC(=O)NC(C7=NC6=CS7)C(C)C)C(C)C)CC(=O)NC)C8=NC(=CS8)C%10=NC(C(=O)N9C(CCC9)C(=O)N)CO%10
• InChI: 1S/C50H51N15O8S6/c1-20(2)35-48-61-31(19-78-48)46-57-27(15-75-46)38-23(9-10-24(54-38)45-60-30(18-76-45)43-56-26(14-73-43)50(72)65-11-7-8-32(65)39(51)68)44-58-29(17-74-44)41(70)55-25(12-33(66)52-6)47-64-37(22(5)79-47)42(71)63-36(21(3)4)49-59-28(16-77-49)40(69)53-13-34(67)62-35/h9-10,15-21,25-26,32,35-36H,7-8,11-14H2,1-6H3,(H2,51,68)(H,52,66)(H,53,69)(H,55,70)(H,62,67)(H,63,71)
• InChIKey: BAGBLRBLZUISAJ-UHFFFAOYSA-N

Properties

• Density: 1.724g/cm³ (Cal.)