Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Calicheamicin alpha 2
RN: 103716-12-7
InChIKey: IVKUGQQIGVUAFF-ZSVXICRMSA-N

Molecular Formula

  • C48-H62-I-N3-O17-S4

Molecular Weight

  • 1208.1858
 
* 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

  • Calicheamicin alpha 2

Synonym

  • Calicheamicin alpha 2

Systematic Name

  • Carbamic acid, (8-((4,6-dideoxy-2-O-(2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranosyl)-4-(((2,6-dideoxy-4-S-(4-hydroxy-3-iodo-5,6-dimethoxy-2-methylbenzoyl)-4-thio-beta-D-ribo-hexopyranosyl)oxy)amino)-beta-D-glucopyranosyl)oxy)-1-hyddroxy-13-(2-(methyltrithio)ethylidene)-11-oxobicyclo(7.3.1)trideca-4,9-diene-2,6-diyn-10-yl)-, methyl ester, (1R-(1R*,4Z,8S*,13E))-

Registry Numbers

CAS Registry Number

  • 103716-12-7

System Generated Number

  • 0103716127

Structure Descriptors

InChI

1S/C48H62IN3O17S4/c1-10-50-27-22-64-32(20-31(27)60-5)68-43-40(56)37(52-69-33-19-28(53)44(25(4)65-33)72-45(57)34-23(2)36(49)39(55)42(62-7)41(34)61-6)24(3)66-46(43)67-30-15-13-11-12-14-17-48(59)21-29(54)38(51-47(58)63-8)35(30)26(48)16-18-71-73-70-9/h11-12,16,24-25,27-28,30-33,37,40,43-44,46,50,52-53,55-56,59H,10,18-22H2,1-9H3,(H,51,58)/b12-11-,26-16-/t24-,25-,27+,28+,30+,31+,32+,33+,37?,40+,43-,44-,46+,48+/m1/s1

InChIKey

IVKUGQQIGVUAFF-ZSVXICRMSA-N

Smiles

CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H](C([C@H](O[C@H]2O[C@H]3C#C/C=C\C#C[C@@]\4(CC(=O)C(=C3/C4=C/CSSSC)NC(=O)OC)O)C)NO[C@H]5C[C@@H]([C@@H]([C@H](O5)C)SC(=O)c6c(c(c(c(c6OC)OC)O)I)C)O)O