Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: EINECS 300-493-5
RN: 93940-94-4
InChIKey: IRJMKIXXNALIPB-UHUJMKHWSA-N

Molecular Formula

  • C27-H49-N7-O17.3C5-H7-N-O3

Molecular Weight

  • 1131.059
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • EINECS 300-493-5

Synonym

  • EINECS 300-493-5

Systematic Name

  • l-Proline, 5-oxo-, compd. with O-beta-D-mannopyranosyl-(1.4)-O-2-deoxy-2-(methylamino)-alpha-l-glucopyranosyl-(1.2)-O-5-deoxy-3-C-formyl-alpha-l-lyxofuranosyl-(1.4)-N,N'-bis(aminoiminomethyl)-d-streptamine (3:1)

Registry Numbers

CAS Registry Number

  • 93940-94-4

System Generated Number

  • 0093940944

Molecular Formulas

Molecular Formula

  • C27-H49-N7-O17.3C5-H7-N-O3

Molecular Formula Fragments

  • C27-H49-N7-O17
  • C5-H7-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C27H49N7O17.3C5H7NO3/c1-6-27(45,5-37)21(24(46-6)50-20-10(34-26(30)31)13(39)9(33-25(28)29)14(40)17(20)43)51-22-11(32-2)15(41)19(8(4-36)48-22)49-23-18(44)16(42)12(38)7(3-35)47-23;3*7-4-2-1-3(6-4)5(8)9/h5-24,32,35-36,38-45H,3-4H2,1-2H3,(H4,28,29,33)(H4,30,31,34);3*3H,1-2H2,(H,6,7)(H,8,9)/t6-,7+,8-,9+,10-,11-,12+,13+,14?,15-,16-,17+,18-,19-,20+,21-,22-,23-,24-,27+;3*3-/m0000/s1

InChIKey

IRJMKIXXNALIPB-UHUJMKHWSA-N

Smiles

C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C([C@H]2O)O)NC(=N)N)O)NC(=N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)NC)(C=O)O.C1CC(=O)N[C@@H]1C(=O)O.C1CC(=O)N[C@@H]1C(=O)O.C1CC(=O)N[C@@H]1C(=O)O