Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: L-Valine, N-(N-(4-((N2-(N2-(N-acetyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)-2,4,5-trideoxy-5-phenyl-L-threo-pentonoyl)-L-valyl)-, methyl ester
RN: 127231-56-5
InChIKey: HYESCYZJIQCTEL-LXTPJMTPSA-N

Molecular Formula

  • C36-H56-N8-O12

Molecular Weight

  • 792.8824
 
* 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

Synonyms

  • (N-(AcetylSerGlnAsn)-4-amino-3-hydroxy-1-oxo-5-phenylpentyl)ValValine methyl ester
  • AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe

Systematic Name

  • L-Valine, N-(N-(4-((N2-(N2-(N-acetyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)-2,4,5-trideoxy-5-phenyl-L-threo-pentonoyl)-L-valyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 127231-56-5

System Generated Number

  • 0127231565

Structure Descriptors

InChI

1S/C36H56N8O12/c1-18(2)30(35(54)44-31(19(3)4)36(55)56-6)43-29(50)16-26(47)23(14-21-10-8-7-9-11-21)41-33(52)24(15-28(38)49)42-32(51)22(12-13-27(37)48)40-34(53)25(17-45)39-20(5)46/h7-11,18-19,22-26,30-31,45,47H,12-17H2,1-6H3,(H2,37,48)(H2,38,49)(H,39,46)(H,40,53)(H,41,52)(H,42,51)(H,43,50)(H,44,54)/t22-,23-,24-,25-,26-,30-,31-/m0/s1

InChIKey

HYESCYZJIQCTEL-LXTPJMTPSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)C)O