Term: | Piricyclamide 7005E1 |
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Accession: | CHEBI:221881
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Synonyms: | exact_synonym: | 2-[(3S,6S,9S,12S,15S,21S,24S,27S)-3-(2-amino-2-oxoethyl)-9-[[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]phenyl]methyl]-21-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-24-(2-methylsulanylethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-15-propan-2-yl-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontan-12-yl]acetic acid |
| related_synonym: | Formula=C56H78N10O15S; InChI=1S/C56H78N10O15S/c1-31(2)9-7-10-33(5)20-23-81-37-18-14-35(15-19-37)26-39-51(75)60-40(25-34-12-16-36(68)17-13-34)52(76)63-42(27-45(57)69)56(80)66-22-8-11-44(66)54(78)59-38(21-24-82-6)50(74)64-43(30-67)49(73)58-29-46(70)65-48(32(3)4)55(79)62-41(28-47(71)72)53(77)61-39/h9,12-20,32,38-44,48,67-68H,7-8,10-11,21-30H2,1-6H3,(H2,57,69)(H,58,73)(H,59,78)(H,60,75)(H,61,77)(H,62,79)(H,63,76)(H,64,74)(H,65,70)(H,71,72)/b33-20-/t38-,39-,40-,41-,42-,43-,44-,48-/m0/s1; InChIKey=MBNLEZMNFKCZCT-LASRUHJTSA-N; SMILES=S(CC[C@@H]1NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC1=O)CO)=O)=O)C(C)C)=O)CC(=O)O)=O)CC3=CC=C(OC/C=C(\\CCC=C(C)C)/C)C=C3)CC4=CC=C(O)C=C4)CC(=O)N)CCC2)C |
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