Bursin Precursor
[CAS# 126741-07-9]

Identification

• Name: Bursin Precursor
• Synonyms: Probursin
• Molecular Formula: C₈₄H₁₂₉N₂₉O₁₆
• Molecular Weight: 1801.13
• CAS Registry Number: 126741-07-9
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC(CNC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC2=CC=CC=C2)=O)CC3=CC=CC=C3)=O)CC4=C[NH]C5=CC=CC=C45)=O)CCCCN)=O)[C@@H](C)O)=O)CCCCN)=O)=O)CCCNC(=N)N)=O)CCCCN)=O)CC6C=NC=N6)=O)=O)=O)CCCNC(=N)N)=O)CCCNC(=N)N
• InChI: 1S/C84H129N29O16/c1-49(114)69(112-75(122)59(27-11-14-34-86)105-77(124)64(42-52-44-99-56-25-9-8-24-54(52)56)110-76(123)63(41-51-22-6-3-7-23-51)109-70(117)55(88)40-50-20-4-2-5-21-50)79(126)107-61(28-12-15-35-87)80(127)113-39-19-32-66(113)78(125)106-60(30-17-37-97-83(91)92)73(120)104-58(26-10-13-33-85)74(121)111-65(43-53-45-95-48-102-53)71(118)101-46-67(115)100-47-68(116)103-57(29-16-36-96-82(89)90)72(119)108-62(81(128)129)31-18-38-98-84(93)94/h2-9,20-25,44-45,48-49,53,55,57-66,69,99,114H,10-19,26-43,46-47,85-88H2,1H3,(H,100,115)(H,101,118)(H,103,116)(H,104,120)(H,105,124)(H,106,125)(H,107,126)(H,108,119)(H,109,117)(H,110,123)(H,111,121)(H,112,122)(H,128,129)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t49-,53?,55+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,69+/m1/s1
• InChIKey: BKMKDENTSMDHRF-LLCYQMDISA-N

Properties

• Density: 1.47g/cm³ (Cal.)