Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Hexanoic acid, (2,3,4,5,6,8-hexahydro-1-methyl-2-(1-methylethyl)-3-oxo-1H-pyrrolo(4,3,2-gh)-1,4-benzodiazonin-5-yl)methyl ester, (2S-(2R*,5R*))-
RN: 97306-38-2
InChIKey: WODUXYKRJJPKDX-JTSKRJEESA-N

Molecular Formula

  • C23-H33-N3-O3

Molecular Weight

  • 399.532
 
* 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

  • Hexanoic acid, (2,3,4,5,6,8-hexahydro-1-methyl-2-(1-methylethyl)-3-oxo-1H-pyrrolo(4,3,2-gh)-1,4-benzodiazonin-5-yl)methyl ester, (2S-(2R*,5R*))-

Registry Numbers

CAS Registry Number

  • 97306-38-2

System Generated Number

  • 0097306382

Structure Descriptors

InChI

1S/C23H33N3O3/c1-5-6-7-11-20(27)29-14-17-12-16-13-24-18-9-8-10-19(21(16)18)26(4)22(15(2)3)23(28)25-17/h8-10,13,15,17,22,24H,5-7,11-12,14H2,1-4H3,(H,25,28)/t17-,22-/m0/s1

InChIKey

WODUXYKRJJPKDX-JTSKRJEESA-N

Smiles

C(CCCCC)(=O)OC[C@H]1NC([C@@H](N(c2c3c(C1)c[nH]c3ccc2)C)C(C)C)=O