Term: | Monodechlorovancomycin 2 |
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Accession: | CHEBI:202962
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Synonyms: | exact_synonym: | (1S,2R,18R,19R,22S,28R,40S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-15-chloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34(39),35,37,46-pentadecaene-40-carboxylic acid |
| related_synonym: | Formula=C66H76ClN9O24; InChI=1S/C66H76ClN9O24/c1-24(2)14-35(70-5)58(87)75-50-52(83)28-9-13-39(34(67)16-28)97-41-18-29-17-40(55(41)100-65-56(54(85)53(84)42(23-77)98-65)99-44-22-66(4,69)57(86)25(3)95-44)96-31-10-6-26(7-11-31)51(82)49-63(92)74-48(64(93)94)33-19-30(78)20-38(80)45(33)32-15-27(8-12-37(32)79)46(60(89)76-49)73-61(90)47(29)72-59(88)36(21-43(68)81)71-62(50)91/h6-13,15-20,24-25,35-36,42,44,46-54,56-57,65,70,77-80,82-86H,14,21-23,69H2,1-5H3,(H2,68,81)(H,71,91)(H,72,88)(H,73,90)(H,74,92)(H,75,87)(H,76,89)(H,93,94)/t25?,35-,36+,42?,44?,46-,47?,48+,49+,50-,51-,52-,53?,54?,56?,57?,65?,66?/m1/s1; InChIKey=VLPGMAYFKJWDJA-CFFSOSBRSA-N; SMILES=ClC1=C2OC3=C(OC4OC(C(O)C(C4OC5OC(C(O)C(C5)(N)C)C)O)CO)C=6OC7=CC=C([C@@H](O)[C@H]8C(=O)N[C@H](C(=O)O)C=9C(C=%10C=C([C@@H](NC(C(C(=C3)C6)NC(=O)[C@@H](NC([C@@H]([C@@H](C(=C1)C=C2)O)NC(=O)[C@H](NC)CC(C)C)=O)CC(=O)N)=O)C(=O)N8)C=CC%10O)=C(O)C=C(O)C9)C=C7 |
| xref: | Chemspider:78445507 |
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