Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Azidobenzamido 008
RN: 113400-63-8
InChIKey: MCRDZKUHIMEOGV-UHFFFAOYSA-N

Note

  • Cyclic heptapeptide; photosensitive substrate for the multispecific bile acid transporter of heptocytes.

Molecular Formula

  • C53-H60-N12-O9

Molecular Weight

  • 1009.13
 
* 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

  • Azidobenzamido 008

Synonyms

  • Azidobenzamido-008
  • Cyclo(phe(4-NH)Ac)-thr-lys-(CO(4-N3)C6H4)-trp-phe-pro
  • Cyclo(phenylalanyl-(4-acetylamino)threonyl-lysyl-(4-azidobenzoyl)tryptophyl-phenylalanyl-prolyl)
  • Cyclo-ptltpp

Systematic Name

  • Cyclo(N6-(4-azidobenzoyl)-L-lysyl-L-tryptophyl-L-phenylalanyl-D-prolyl-4-(acetylamino)-L-phenylalanyl-L-threonyl)

Registry Numbers

CAS Registry Number

  • 113400-63-8

System Generated Number

  • 0113400638

Structure Descriptors

InChI

1S/C53H60N12O9/c1-31(66)46-52(73)58-41(15-8-9-25-55-47(68)35-19-23-38(24-20-35)63-64-54)48(69)59-43(29-36-30-56-40-14-7-6-13-39(36)40)49(70)61-44(28-33-11-4-3-5-12-33)53(74)65-26-10-16-45(65)51(72)60-42(50(71)62-46)27-34-17-21-37(22-18-34)57-32(2)67/h3-7,11-14,17-24,30-31,41-46,56,66H,8-10,15-16,25-29H2,1-2H3,(H,55,68)(H,57,67)(H,58,73)(H,59,69)(H,60,72)(H,61,70)(H,62,71)

InChIKey

MCRDZKUHIMEOGV-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)NC(C)=O)C[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](CCCCNC(c2ccc(N=[N+]=[N-])cc2)=O)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](C(N2[C@@H](C(N1)=O)CCC2)=O)Cc1ccccc1)[C@@H](C)O