Des-phenylalanine-anantin
[CAS# 133658-46-5]

Identification

• Name: Des-phenylalanine-anantin
• Synonyms: Des-Phenylalanine-Anantin
• Molecular Formula: C₈₁H₁₀₄N₂₀O₂₄
• Molecular Weight: 1741.83
• CAS Registry Number: 133658-46-5
• SMILES: [C@H](C(=O)O)(NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(CN)=O)CC1=CC=CC=C1)=O)[C@H](CC)C)=O)=O)CC2=C[NH]C3=CC=CC=C23)=O)=O)CC(=O)N)=O)CC(=O)O)=O)[C@H](CC)C)=O)CC4=CC=CC=C4)=O)=O)CC5C=NC=N5)=O)CC6=CC=C(O)C=C6)=O)CO)=O)=O)CC(=O)O
• InChI: 1S/C81H104N20O24/c1-5-42(3)69(100-77(120)53(91-62(105)33-82)26-45-17-11-8-12-18-45)79(122)89-39-65(108)92-55(28-47-34-85-51-20-14-13-19-50(47)51)72(115)87-37-64(107)94-57(30-61(83)104)76(119)97-58(31-67(110)111)78(121)101-70(43(4)6-2)80(123)98-52(25-44-15-9-7-10-16-44)71(114)86-36-63(106)93-56(29-48-35-84-41-90-48)75(118)96-54(27-46-21-23-49(103)24-22-46)74(117)99-60(40-102)73(116)88-38-66(109)95-59(81(124)125)32-68(112)113/h7-24,34-35,41-43,48,52-60,69-70,85,102-103H,5-6,25-33,36-40,82H2,1-4H3,(H2,83,104)(H,86,114)(H,87,115)(H,88,116)(H,89,122)(H,91,105)(H,92,108)(H,93,106)(H,94,107)(H,95,109)(H,96,118)(H,97,119)(H,98,123)(H,99,117)(H,100,120)(H,101,121)(H,110,111)(H,112,113)(H,124,125)/t42-,43-,48?,52-,53-,54-,55-,56-,57-,58-,59-,60-,69-,70-/m0/s1
• InChIKey: XJIRKQKGXLBEJR-USPUVUMISA-N

Properties

• Density: 1.49g/cm³ (Cal.)