Polyoxin A

CAS Registry Number®

19396-03-3
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CAS Name

Polyoxin A

Molecular Formula

C23H32N6O14

Molecular Mass

616.53

Cite this Page

Polyoxin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=19396-03-3 (retrieved 2024-05-05) (CAS RN: 19396-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H32N6O14/c1-2-7-3-28(12(7)21(38)39)19(37)11(26-18(36)10(24)13(32)9(31)6-42-22(25)40)16-14(33)15(34)20(43-16)29-4-8(5-30)17(35)27-23(29)41/h2,4,9-16,20,30-34H,3,5-6,24H2,1H3,(H2,25,40)(H,26,36)(H,38,39)(H,27,35,41)/b7-2-/t9-,10-,11-,12-,13+,14-,15+,16+,20+/m0/s1

InChIKey

InChIKey=PQAGMWMKVWTHJU-ATETYRDMSA-N

SMILES

C([C@@H](NC([C@H]([C@@H]([C@H](COC(N)=O)O)O)N)=O)[C@]1(O[C@H]([C@H](O)[C@@H]1O)N2C=C(CO)C(=O)NC2=O)[H])(=O)N3[C@H](C(O)=O)/C(=C\C)/C3

Canonical SMILES

O=C(OCC(O)C(O)C(N)C(=O)NC(C(=O)N1CC(=CC)C1C(=O)O)C2OC(N3C=C(C(=O)NC3=O)CO)C(O)C2O)N

Other Names for this Substance

  • 2-Azetidinecarboxylic acid, 1-[5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-β-D-allofuranuronoyl]-3-ethylidene-, (2S,3Z)-
  • Polyoxin A
  • 2-Azetidinecarboxylic acid, 1-[5-(2-amino-2-deoxy-L-xylonamido)-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-β-D-allofuranuronoyl]-3-ethylidene-, monocarbamate (ester), (Z)-L-
  • 2-Azetidinecarboxylic acid, 1-[5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-β-D-allofuranuronoyl]-3-ethylidene-, [S-(Z)]-

Deleted or Replaced CAS Registry Numbers

11016-31-2

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