Thiopeptin B
[CAS# 37339-66-5]

Identification

• Name: Thiopeptin B
• Synonyms: Tatemycin; Thiopeptin Ba
• Molecular Formula: C₇₁H₈₄N₁₈O₁₈S₆
• Molecular Weight: 1669.91
• CAS Registry Number: 37339-66-5
• SMILES: C5(=C/C)\NC(=O)C(NC(=O)C1=CSC(=N1)C27CCC(NC2C3=CSC(=N3)C(NC(=S)C4=CSC(=N4)C(NC(=O)C6CSC5=N6)C(C)(O)C(C)O)C(C)OC(=O)C9=NC8=C(C=CC(NC(C(C)C)C(=O)NC(C)C(=O)NC(=C)C(=O)NC(C)C(=O)N7)C8O)C(=C9)C(C)O)C%10=NC(=CS%10)C(=O)NC(=C)C(=O)NC(=C)C(O)=O)C(C)O
• InChI: 1S/C71H84N18O18S6/c1-14-37-63-82-43(22-109-63)59(100)88-52(70(13,106)34(12)92)66-84-45(24-112-66)62(108)87-48-33(11)107-68(105)40-19-36(31(9)90)35-15-16-38(50(93)49(35)78-40)77-46(25(2)3)60(101)75-28(6)54(95)72-26(4)53(94)73-29(7)56(97)89-71(69-85-44(23-113-69)58(99)86-47(32(10)91)61(102)80-37)18-17-39(79-51(71)41-20-111-65(48)81-41)64-83-42(21-110-64)57(98)74-27(5)55(96)76-30(8)67(103)104/h14-16,19-21,23-25,28-29,31-34,38-39,43,46-48,50-52,77,79,90-93,106H,4-5,8,17-18,22H2,1-3,6-7,9-13H3,(H,72,95)(H,73,94)(H,74,98)(H,75,101)(H,76,96)(H,80,102)(H,86,99)(H,87,108)(H,88,100)(H,89,97)(H,103,104)/b37-14+
• InChIKey: XLCGNZQPUQXSOY-JAVCYFNSSA-N

Properties

• Density: 1.65g/cm³ (Cal.)