Chemical Compound

Eremomycin aglycone

CAS Registry Number 119789-44-5
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Eremomycin aglycone chemical structure
Primary Record

Eremomycin aglycone

In stock
6,397 g
Purity
98.7 %
CAS
119789-44-5

Compound Identifiers & Properties

CAS
119789-44-5
PubChem CID
147915
SMILES
CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O)OC5=CC=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)O)NC
Canonical SMILES
CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(cc3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)[C@H]1O

Names & Synonyms

  • Eremomycin aglycone
  • Eremomycin aglycon
  • RefChem:137488
  • AC1L3W3A
  • DTXSID90152587
  • C53H53ClN8O17
  • CHEMBL264202
  • DTXCID5075078
  • C53-H53-Cl-N8-O17
  • CID147915
  • J436.938F
  • 119789-44-5
  • (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
  • (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-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
  • (1S,2R,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-47-chloro-2,18,32,35,37,48-hexahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-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-carboxylic acid
  • (2-amino-2-oxo-ethyl)-chloro-hexahydroxy-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-pentaoxo-[?]carboxylic acid
  • 19-Dechloro-44-O-de[2-O-(3-amino-3-C-methyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-beta-D-glucopyranosyl]vancomycin
  • 19-Deschloro-44-O-des[2-O-(3-amino-3-methyl-2,3,6-trideoxy-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]vancomycin
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