Monoacetyl-luzopeptin B
[CAS# 75580-37-9]

Identification

• Name: Monoacetyl-luzopeptin B
• Synonyms: Antibiotic Bbm 928C, 2,7-Diacetate; Bbm-928A; Brn 5725577
• Molecular Formula: C₆₄H₇₈N₁₄O₂₄
• Molecular Weight: 1427.40
• CAS Registry Number: 75580-37-9
• SMILES: [C@@H]37N(C([C@H](NC(C1=C(C=C2C(=N1)C=CC(=C2)OC)O)=O)COC([C@@H](N(C(CN(C(CNC([C@H]6N(C([C@@H](COC([C@@H](N(C(CN(C(CNC3=O)=O)C)=O)C)C(C)(C)O)=O)NC(C4=C(C=C5C(=N4)C=CC(=C5)OC)O)=O)=O)N=CC[C@@H]6OC(C)=O)=O)=O)C)=O)C)C(C)(C)O)=O)=O)N=CC[C@@H]7OC(C)=O
• InChI: 1S/C64H78N14O24/c1-31(79)101-43-17-19-67-77-51(43)57(89)65-25-45(83)73(7)27-47(85)75(9)54(64(5,6)96)62(94)100-30-40(72-56(88)50-42(82)24-34-22-36(98-12)14-16-38(34)70-50)60(92)78-52(44(18-20-68-78)102-32(2)80)58(90)66-26-46(84)74(8)28-48(86)76(10)53(63(3,4)95)61(93)99-29-39(59(77)91)71-55(87)49-41(81)23-33-21-35(97-11)13-15-37(33)69-49/h13-16,19-24,39-40,43-44,51-54,81-82,95-96H,17-18,25-30H2,1-12H3,(H,65,89)(H,66,90)(H,71,87)(H,72,88)/t39-,40-,43+,44+,51+,52+,53-,54-/m1/s1
• InChIKey: QMZVWFQMMLKHLS-LPQVFZKKSA-N

Properties

• Density: 1.504g/cm³ (Cal.)