Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-(N(2)-Benzyloxycarbonylornithyl-gamma-glutamyl)octahydro-1H-indole-2-carboxylic acid
RN: 116587-12-3
InChIKey: XLRBNOSYGUXWOK-XBQGZOMUSA-N

Molecular Formula

  • C27-H38-N4-O8

Molecular Weight

  • 546.6172
 
* 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

  • 1-(N(2)-Benzyloxycarbonylornithyl-gamma-glutamyl)octahydro-1H-indole-2-carboxylic acid

Synonyms

  • (2S-(2alpha,3abeta,7abeta))-5-(2-Carboxyoctahydro-1H-indol-1-yl)-5-oxo-N-(N(sup 2)-((phenylmethoxy)carbonyl)-L-ornithyl)-D-norvaline
  • 1-Bobic
  • Z-Orn-glu-octahydro-1H-indole-2-carboxylic acid

Systematic Name

  • D-Norvaline, 5-(2-carboxyoctahydro-1H-indol-1-yl)-5-oxo-N-(N(sup 2)-((phenylmethoxy)carbonyl)-L-ornithyl)-, (2S-(2alpha,3abeta,7abeta))-

Registry Numbers

CAS Registry Number

  • 116587-12-3

System Generated Number

  • 0116587123

Structure Descriptors

InChI

1S/C27H38N4O8/c28-14-6-10-19(30-27(38)39-16-17-7-2-1-3-8-17)24(33)29-20(25(34)35)12-13-23(32)31-21-11-5-4-9-18(21)15-22(31)26(36)37/h1-3,7-8,18-22H,4-6,9-16,28H2,(H,29,33)(H,30,38)(H,34,35)(H,36,37)/t18?,19-,20+,21?,22?/m0/s1

InChIKey

XLRBNOSYGUXWOK-XBQGZOMUSA-N

Smiles

c1ccc(cc1)COC(=O)N[C@@H](CCCN)C(=O)N[C@H](CCC(=O)N2C3CCCCC3CC2C(=O)O)C(=O)O