Glicentin (1-16)
[CAS# 104504-00-9]

Identification

• Name: Glicentin (1-16)
• Molecular Formula: C₇₈H₁₂₇N₂₅O₂₇
• Molecular Weight: 1847.01
• CAS Registry Number: 104504-00-9
• SMILES: [C@H]1(C(=O)O)N(CCC1)C([C@@H](NC([C@H]2N(CCC2)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CCCNC(=N)N)=O)CO)=O)CC(C)C)=O)CCC(=O)N)=O)CC(=O)N)=O)[C@@H](C)O)=O)CCC(=O)O)=O)CCC(=O)O)=O)CCCCN)=O)CO)=O)CCCNC(=N)N)=O)CO)=O)CC3=CC=CC=C3)=O)=O)C)=O
• InChI: 1S/C78H127N25O27/c1-38(2)32-48(95-70(123)51(35-104)98-61(114)42(80)16-10-28-87-77(83)84)67(120)93-45(21-24-56(81)108)66(119)96-49(34-57(82)109)68(121)101-60(40(4)107)73(126)94-47(23-26-59(112)113)65(118)92-46(22-25-58(110)111)64(117)90-43(17-8-9-27-79)62(115)99-52(36-105)69(122)91-44(18-11-29-88-78(85)86)63(116)100-53(37-106)71(124)97-50(33-41-14-6-5-7-15-41)75(128)102-30-12-19-54(102)72(125)89-39(3)74(127)103-31-13-20-55(103)76(129)130/h5-7,14-15,38-40,42-55,60,104-107H,8-13,16-37,79-80H2,1-4H3,(H2,81,108)(H2,82,109)(H,89,125)(H,90,117)(H,91,122)(H,92,118)(H,93,120)(H,94,126)(H,95,123)(H,96,119)(H,97,124)(H,98,114)(H,99,115)(H,100,116)(H,101,121)(H,110,111)(H,112,113)(H,129,130)(H4,83,84,87)(H4,85,86,88)/t39-,40+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1
• InChIKey: DANBVNZJGPTATL-MDXNAHIXSA-N