Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine
RN: 138865-76-6
InChIKey: ROQVHFVDSPTYHV-ZJOZRNNHSA-N

Molecular Formula

  • C46-H58-Br-N7-O14

Molecular Weight

  • 1012.9
 
* 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

Name of Substance

  • tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine

Synonyms

  • Boc-bgat
  • Boc-val-ser(bzl)-gln-asn-tyr(brz)OH

Systematic Name

  • L-Tyrosine, N-(N2-(N2-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-O-(phenylmethyl)-L-seryl)-L-glutaminyl)-L-asparaginyl)-, (4-bromophenyl)methyl carbonate (ester)

Registry Numbers

CAS Registry Number

  • 138865-76-6

System Generated Number

  • 0138865766

Structure Descriptors

InChI

1S/C46H58BrN7O14/c1-26(2)22-66-45(63)54-39(27(3)4)43(60)53-36(25-65-23-29-8-6-5-7-9-29)42(59)50-33(18-19-37(48)55)40(57)51-34(21-38(49)56)41(58)52-35(44(61)62)20-28-12-16-32(17-13-28)68-46(64)67-24-30-10-14-31(47)15-11-30/h5-17,26-27,33-36,39H,18-25H2,1-4H3,(H2,48,55)(H2,49,56)(H,50,59)(H,51,57)(H,52,58)(H,53,60)(H,54,63)(H,61,62)/t33-,34-,35?,36-,39-/m0/s1

InChIKey

ROQVHFVDSPTYHV-ZJOZRNNHSA-N

Smiles

c1(ccccc1)COC[C@@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(O)=O)Cc1ccc(OC(OCc2ccc(Br)cc2)=O)cc1)=O)CC(N)=O)=O)CCC(N)=O)=O)NC([C@H](C(C)C)NC(OCC(C)C)=O)=O