Term: | Aeruginopeptin 95-B |
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Accession: | CHEBI:204428
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Synonyms: | exact_synonym: | (2S)-N-[(2S,5S,8S,11R,12S,15S)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[(4-hydroxycyclohex-2-en-1-yl)methyl]-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S,3R)-3-hydroxy-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]butanoyl]amino]pentanediamide |
| related_synonym: | Formula=C56H79N9O17; InChI=1S/C56H79N9O17/c1-7-28(2)44-56(81)82-31(5)46(63-48(73)37(21-23-42(57)71)58-52(77)45(29(3)66)62-51(76)41(70)27-34-15-19-36(69)20-16-34)53(78)60-39(25-33-13-17-35(68)18-14-33)49(74)59-38-22-24-43(72)65(54(38)79)47(30(4)67)55(80)64(6)40(50(75)61-44)26-32-11-9-8-10-12-32/h8-13,15-17,19-20,28-31,33,35,37-41,43-47,66-70,72H,7,14,18,21-27H2,1-6H3,(H2,57,71)(H,58,77)(H,59,74)(H,60,78)(H,61,75)(H,62,76)(H,63,73)/t28-,29+,30+,31+,33?,35?,37-,38?,39-,40-,41?,43?,44-,45-,46-,47-/m0/s1; InChIKey=TUPDMLYCDOSVAR-NFNFYSDASA-N; SMILES=O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(O)CC2=CC=C(O)C=C2)[C@H](O)C)CCC(=O)N)C(=O)N[C@H](C(=O)NC3CCC(N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC4=CC=CC=C4)C)=O)[C@H](O)C)C3=O)O)CC5C=CC(O)CC5)C |
| xref: | Chemspider:78445514 |
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