Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: alpha-Amanitin, 4-(6-((6-((2-(((1,1- dimethylethoxy)carbonyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-
RN: 79513-33-0
InChIKey: YTRBIMRTRFOOQF-UHFFFAOYSA-N

Molecular Formula

  • C52-H78-N12-O17-S

Molecular Weight

  • 1175.32
 
* 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

  • alpha-Amanitin, 4-(6-((6-((2-(((1,1- dimethylethoxy)carbonyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-

Registry Numbers

CAS Registry Number

  • 79513-33-0

System Generated Number

  • 0079513330

Structure Descriptors

InChI

1S/C52H78N12O17S/c1-7-26(2)42-47(75)57-21-40(70)58-35-25-82(79)49-31(30-13-12-29(18-32(30)61-49)80-16-10-8-9-11-39(69)54-14-15-55-51(78)81-52(4,5)6)19-33(44(72)56-22-41(71)62-42)59-48(76)43(27(3)37(67)24-65)63-46(74)36-17-28(66)23-64(36)50(77)34(20-38(53)68)60-45(35)73/h12-13,18,26-28,33-37,42-43,61,65-67H,7-11,14-17,19-25H2,1-6H3,(H2,53,68)(H,54,69)(H,55,78)(H,56,72)(H,57,75)(H,58,70)(H,59,76)(H,60,73)(H,62,71)(H,63,74)

InChIKey

YTRBIMRTRFOOQF-UHFFFAOYSA-N

Smiles

N(CCNC(CCCCCOc1cc2[nH]c3[S@@](=O)C[C@@H]4C(N[C@@H](C(=O)N5C[C@@H](O)C[C@@H]5C(N[C@@H]([C@@H](C)[C@@H](CO)O)C(=O)N[C@@H](C(NCC(=O)N[C@@H](C(=O)NCC(=O)N4)[C@@H](C)CC)=O)Cc3c2cc1)=O)CC(N)=O)=O)=O)C(OC(C)(C)C)=O