Chemical Compound

(1S,2R,19R,22R,34S,37R,40R,52S)-48-{[(Adamantan-2-yl)amino]methyl}-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2~3,6~.2~14,17~.2~19,34~.1~8,12~.1~23,27~.1~29,33~.1~41,45~.0~10,37~.0~46,51~]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46,48,50,62,65-henicosaene-52-carboxylic acid

CAS Registry Number 562105-40-2
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(1S,2R,19R,22R,34S,37R,40R,52S)-48-{[(Adamantan-2-yl)amino]methyl}-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2~3,6~.2~14,17~.2~19,34~.1~8,12~.1~23,27~.1~29,33~.1~41,45~.0~10,37~.0~46,51~]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46,48,50,62,65-henicosaene-52-carboxylic acid 结构式
Primary record

(1S,2R,19R,22R,34S,37R,40R,52S)-48-{[(Adamantan-2-yl)amino]methyl}-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2~3,6~.2~14,17~.2~19,34~.1~8,12~.1~23,27~.1~29,33~.1~41,45~.0~10,37~.0~46,51~]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46,48,50,62,65-henicosaene-52-carboxylic acid

库存
2,426 克
纯度
98.5 %
CAS
562105-40-2

化合物标识与属性

CAS
562105-40-2
PubChem CID
16133990
SMILES
C1[C@@H]2C(=O)N[C@@H](C3=CC(=CC(=C3)OC4=C(C=CC(=C4)[C@H](C(=O)N2)N)O)O)C(=O)N[C@@H]5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=CC(=C(C(=C9C2=C(C=CC(=C2)[C@H](C(=O)N8)NC5=O)O)O)CNC2C3CC4CC(C3)CC2C4)O)C(=O)O)O)Cl)O)OC2=C(C=C1C=C2)Cl
Canonical SMILES
N[C@H]1C(=O)N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(cc(O)c(CNC2C4CC5CC(C4)CC2C5)c1O)[C@@H](C(=O)O)NC3=O

名称与同义词

  • Teicoplanin aglycone deriv.
  • DTXSID40204762
  • 562105-40-2
  • Ristomycin A aglycone, 22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-41-((tricyclo(3.3.1.13,7)dec-2-ylamino)methyl)-
  • (2-adamantylamino)methyl-amino-dichloro-heptahydroxy-hexaoxo-[?]carboxylic acid
  • (1S,2R,19R,22R,34S,37R,40R,52S)-48-{[(Adamantan-2-yl)amino]methyl}-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2~3,6~.2~14,17~.2~19,34~.1~8,12~.1~23,27~.1~29,33~.1~41,45~.0~10,37~.0~46,51~]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46,48,50,62,65-henicosaene-52-carboxylic acid
  • Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-41-((tricyclo(3.3.1.13,7)dec-2-ylamino)methyl)-
  • Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-41-[(tricyclo[3.3.1.13,7]dec-2-ylamino)methyl]-