Chemical Compound

prop-2-en-1-yl (1S,2R,18R,19R,22S,25R,28R,40S)-2,18-bis(acetyloxy)-22-(carbamoylmethyl)-47,49-dichloro-48-hydroxy-19-[(2R)-4-methyl-2-{methyl[(prop-2-en-1-yloxy)carbonyl]amino}pentanamido]-20,23,26,42,44-pentaoxo-32,35,37-tris(prop-2-en-1-yloxy)-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylate

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prop-2-en-1-yl (1S,2R,18R,19R,22S,25R,28R,40S)-2,18-bis(acetyloxy)-22-(carbamoylmethyl)-47,49-dichloro-48-hydroxy-19-[(2R)-4-methyl-2-{methyl[(prop-2-en-1-yloxy)carbonyl]amino}pentanamido]-20,23,26,42,44-pentaoxo-32,35,37-tris(prop-2-en-1-yloxy)-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylate 结构式
Primary record

prop-2-en-1-yl (1S,2R,18R,19R,22S,25R,28R,40S)-2,18-bis(acetyloxy)-22-(carbamoylmethyl)-47,49-dichloro-48-hydroxy-19-[(2R)-4-methyl-2-{methyl[(prop-2-en-1-yloxy)carbonyl]amino}pentanamido]-20,23,26,42,44-pentaoxo-32,35,37-tris(prop-2-en-1-yloxy)-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
16149505
SMILES
CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O)OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)OCC=C)OCC=C)C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)OCC=C)C(=O)OCC=C)OC(=O)C)Cl)Cl)OC(=O)C)N(C)C(=O)OCC=C
Canonical SMILES
C=CCOC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)OCC=C)[C@H](OC(C)=O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)[C@H]2OC(C)=O)c2ccc(OCC=C)c(c2)-c2c(OCC=C)cc(OCC=C)cc21

名称与同义词

  • J1.073.869E
  • (9R,10S,13S,21R,24R,27S,30R,31R)-2-Hydroxy-6,34-dichloro-9,31-diacetoxy-10,21-(iminocarbonyl)-11,23,26,29-tetraoxo-17,43,45-tris(allyloxy)-27-(2-oxo-2-aminoethyl)-30-[N-methyl-N-(allyloxycarbonyl)-D-leucylamino]-38,3:20,16-dimetheno-5,8:32,35-dietheno-14,15-[1,3]butadieno-4,36-dioxa-12,22,25,28-tetraazabicyclo[22.12.2]octatriacontane-1,5,7,14,17,19,32,34,37-nonene-13-carboxylic acid allyl ester
  • 7-O,22-O-Diacetyl-28-O,30-O,32-O-triallyl-26,56-bis(allyloxycarbonyl)-26-descarboxy-44-O-des[2-O-(3-C-amino-3-methyl-2,3,6-trideoxy-beta-D-glucopyranosyl)-beta-D-glucopyranosyl]vancomycin
  • prop-2-en-1-yl (1S,2R,18R,19R,22S,25R,28R,40S)-2,18-bis(acetyloxy)-22-(carbamoylmethyl)-47,49-dichloro-48-hydroxy-19-[(2R)-4-methyl-2-{methyl[(prop-2-en-1-yloxy)carbonyl]amino}pentanamido]-20,23,26,42,44-pentaoxo-32,35,37-tris(prop-2-en-1-yloxy)-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylate